Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL962398

CCCCCCCC/C=C\CCCCCCCCNCCC.N.N

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
PPARA Q07869 2/20 0.56
FAAH O00519 2/20 0.56
TRPV1 Q8NER1 2/20 0.56
EPHX1 P07099 1/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
EPHX2 P34913 6/20 0.46

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
SCHEMBL9212841 0.98 TSHR (0.59) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL6903264 0.98 TSHR (0.59) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL20017950 0.98 TSHR (0.59) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL6896933 0.98 TSHR (0.59) ALDH1A1TSHRPPARAFAAHTRPV1
Dimethylamine SCHEMBL28274363 0.94 PPARA (0.55) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL27307433 0.93 FAAH (0.58) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL19245121 0.93 FAAH (0.58) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL20017953 0.93 PPARA (0.58) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL23117202 0.93 TSHR (0.65) ALDH1A1TSHRPPARAFAAHTRPV1
SCHEMBL6677501 0.93 TSHR (0.65) ALDH1A1TSHRPPARAFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2012-08-16 US claimed
JP-2010513275-A 2010-04-30 JP claimed
EP-2152321-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER Arch Chemicals, Inc. (US) 2010-02-17 EP claimed
EP-2114467-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS Arch Chemicals, Inc. (US) 2009-11-11 EP claimed
WO-2008137085-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER ARCH CHEMICALS, INC. (US) 2008-11-13 WO claimed
US-20080274208-A1 Water treatment containing DBNPA for use in sanitizing recreational water ARCH CHEMICALS, INC. 2008-11-06 US claimed
WO-2008076251-A9 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEM INC (US) 2008-08-21 WO claimed
WO-2008076251-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2008-06-26 WO claimed
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems ARCH CHEMICALS, INC. 2008-06-19 US claimed
US-20170036931-A1 METHODS AND KITS FOR STABILIZING OXIDIZERS AND SANITIZING WATER ARCH CHEM INC (US) 2017-02-09 US disclosed
US-20130217575-A1 COMPOSITIONS FOR TREATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2013-08-22 US disclosed
US-8476196-B2 Control of harmful algal blooms by induction of programmed cell death UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-02 US disclosed
US-8440212-B2 Compositions for treating water systems ARCH CHEMICALS, INC. (US) 2013-05-14 US disclosed
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2012-08-16 US disclosed
EP-2114467-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS Arch Chemicals, Inc. (US) 2009-11-11 EP disclosed
WO-2008137085-A1 WATER TREATMENT CONTAINING DBNPA FOR USE IN SANITIZING RECREATIONAL WATER ARCH CHEMICALS, INC. (US) 2008-11-13 WO disclosed
US-20080274208-A1 Water treatment containing DBNPA for use in sanitizing recreational water ARCH CHEMICALS, INC. 2008-11-06 US disclosed
WO-2008076251-A9 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEM INC (US) 2008-08-21 WO disclosed
WO-2008076251-A2 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS ARCH CHEMICALS, INC. (US) 2008-06-26 WO disclosed
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems ARCH CHEMICALS, INC. 2008-06-19 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 (2 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-20080142453-A1 Biocidal composition and method for treating recirculating water systems DBH, DBF4, QDPR ALDH1A1 1166/4885TSHR 3299/4885PPARA 1399/4885
US-20120207861-A1 BIOCIDAL COMPOSITION AND METHOD FOR TREATING RECIRCULATING WATER SYSTEMS DBH, DBF4, QDPR ALDH1A1 1166/4885TSHR 3299/4885PPARA 1399/4885

“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.