Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6723792

CCC(N)CCNCCCN.N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA6 P23280 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA5A P35218 4/20 0.48
ALOX15 P16050 3/20 0.48
CASP2 P42575 2/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
THPO P40225 2/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA3 P07451 3/20 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
SCHEMBL14163240 0.98 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL3158951 0.96 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL31139219 0.90 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL22345317 0.85 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL8850832 0.85 TSHR (0.42) CA12CA6CA7CA9CA14
SCHEMBL433529 0.85 CYP2C19 (0.36) CA12CA6CA7CA9CA14
SCHEMBL28111017 0.84 HRH3 (0.39) MEN1KMT2ACYP2C19TSHRALDH1A1
SCHEMBL19214781 0.83 TSHR (0.46) CA2CYP1A2MEN1KMT2ACYP2C19
SCHEMBL25989954 0.81 TSHR (0.56) CYP1A2CYP2C19TSHRALDH1A1TP53
SCHEMBL23924138 0.80 CA12 (0.55) CA12CA6CA7CA9CA14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677451-B2 POLYMER STABILIZERS; OXYGEN, HEAT, RADIATION RESISTANCES; DISCOLORATION INHIBITION; COATINGS; FIBERS; TAPES; FILMS; PAPERMAKING; HALS; FIREPROOFING; OXIDATION OF A 1-ALLYL-SUBSTITUTED STERICALLY HINDERED AMINE CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-13 US disclosed
US-20020094976-A1 Preparation of sterically hindered amine ethers ZEDDA ALESSANDRO (IT) 2002-07-18 US disclosed
US-6420462-B1 OXIDATION RESISTANCE, HEAT RESISTANT AND ACTINIC DEGRADATIONHETEROCYCLIC AMINE OXIDES CIBA SPECIALTY CHEMICALS CORPORATION 2002-07-16 US disclosed
US-6117995-A OXIDATION OF THE CORRESPONDING HETEROCYCLIC AMINE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-09-12 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 (1 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-20020094976-A1 Preparation of sterically hindered amine ethers CBR1, CBR3, RER1 CA12 1504/4885CA6 1436/4885CA7 1148/4885

“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.