Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL624387

CC(C)OC(=O)C(Cl)(Cl)C(C)C.N

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9412783 0.80 TSHR (0.43) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL1707076 0.77 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL9243012 0.77 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL5512678 0.75 TSHR (0.43) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL2478389 0.74 TSHR (0.48) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL6063978 0.74 TSHR (0.48) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL7655973 0.73 TSHR (0.42) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL4675760 0.72 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL4675881 0.72 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11
SCHEMBL235499 0.72 TSHR (0.46) MEN1KMT2ATSHRUSP2ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603225-A2 ELECTRONICALLY MODIFIED REACTION INTERMIDEATES Markou, Demetrios (US) 2013-06-19 EP claimed
WO-2012024196-A2 A NOVEL METHOD FOR CREATING, SUSPENDING AND STABILIZING ELECTRONICALLY MODIFIED REACTION INTERMIDEATES MARKOU DEMETRIOS (US) 2012-02-23 WO claimed
US-20120039796-A1 Novel method for creating, suspending and stabilizing electronically modified oxygen derivatives, along with creating, suspending and stabilizing electronically modified reaction intermediates, in a bio compatible fluorocarbon suspension, for the purpose of inducing a cascading immune response in mammalian patients MARKOU DEMETRIOS (US) 2012-02-16 US claimed
EP-2167104-A1 BIFUNCTIONAL SYNTHETIC MOLECULES BioChemics, Inc. (US) 2010-03-31 EP claimed
WO-2008156758-A1 BIFUNCTIONAL SYNTHETIC MOLECULES BIOCHEMICS, INC. (US) 2008-12-24 WO claimed
US-4631294-A TRAUMAS, STROKES, CARDIOVASCULAR DISORDERS UNIVERSITY E.M., INC. (US) 1986-12-23 US claimed
US-10927067-B2 Organic crystalline salt of haloacetic acid PARAYIL SARIN (IN) 2021-02-23 US disclosed
US-20200039919-A1 NOVEL ORGANIC CRYSTALLINE SALT OF HALOACETIC ACID PARAYIL SARIN (IN) 2020-02-06 US disclosed
WO-2018096517-A1 NOVEL ORGANIC CRYSTALLINE SALT OF HALOACETIC ACID PARAYIL SARIN (IN) 2018-05-31 WO disclosed
EP-3116490-A1 DICHLOROACETATE COMPOUNDS FOR USE IN TREATING A DISEASE CAUSED BY A GLYCOLYTIC PARASITE Universitat Autònoma De Barcelona (ES) 2017-01-18 EP disclosed
WO-2015135926-A1 DICHLOROACETATE COMPOUNDS FOR USE IN TREATING A DISEASE CAUSED BY A GLYCOLYTIC PARASITE UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2015-09-17 WO disclosed
US-20140037760-A1 METHODS OF INDUCING STASIS FOR THE TREATMENT OF CANCER THRAMANN JEFF (US) 2014-02-06 US disclosed
US-8609724-B2 Method of treating cancer using dichloroacetate QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-12-17 US disclosed
WO-2012126002-A1 METHODS OF INDUCING STASIS FOR THE TREATMENT OF CANCER THRAMANN JEFF (US) 2012-09-20 WO disclosed
WO-2012024196-A2 A NOVEL METHOD FOR CREATING, SUSPENDING AND STABILIZING ELECTRONICALLY MODIFIED REACTION INTERMIDEATES MARKOU DEMETRIOS (US) 2012-02-23 WO disclosed
US-20120039796-A1 Novel method for creating, suspending and stabilizing electronically modified oxygen derivatives, along with creating, suspending and stabilizing electronically modified reaction intermediates, in a bio compatible fluorocarbon suspension, for the purpose of inducing a cascading immune response in mammalian patients MARKOU DEMETRIOS (US) 2012-02-16 US disclosed
US-20090118370-A1 METHOD OF TREATING CANCER USING DICHLOROACETATE QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US disclosed
WO-2006108276-A1 A METHOD OF TREATING CANCER USING DICHLOROACETATE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2006-10-19 WO disclosed
WO-2002004598-A2 IMPROVEMENT OF CELL CULTURE PERFORMANCE BY INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE IMMUNEX CORPORATION (US) 2002-01-17 WO disclosed
US-4631294-A TRAUMAS, STROKES, CARDIOVASCULAR DISORDERS UNIVERSITY E.M., INC. (US) 1986-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10927067-B2 Organic crystalline salt of haloacetic acid SLC6A6, SLC10A6, REN MEN1 3353/4885KMT2A 835/4885TSHR 631/4885
US-20140037760-A1 METHODS OF INDUCING STASIS FOR THE TREATMENT OF CANCER BAD, HCCS, PTGIS MEN1 2461/4885KMT2A 1675/4885TSHR 3495/4885
US-20200039919-A1 NOVEL ORGANIC CRYSTALLINE SALT OF HALOACETIC ACID SLC6A6, SLC10A6, REN MEN1 3257/4885KMT2A 1044/4885TSHR 820/4885
US-20090118370-A1 METHOD OF TREATING CANCER USING DICHLOROACETATE CCAR2, CASP3, BCL2 MEN1 2327/4885KMT2A 589/4885TSHR 3273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.