Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7724540

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

nearest known ligand 0.42

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.39
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1108024 0.98 TSHR (0.43) TSHRALDH1A1THRBGAACYP1A2
SCHEMBL12265669 0.89 TSHR (0.41) TSHRALDH1A1THRBGAACYP1A2
SCHEMBL14477462 0.88 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL14509496 0.86 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL18231537 0.86 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL23494134 0.86 TSHR (0.39) TSHRALDH1A1THRBGAA
SCHEMBL12941443 0.84 TSHR (0.37) TSHRALDH1A1THRBGAA
SCHEMBL15219177 0.84 TSHR (0.37) TSHRALDH1A1THRBGAA
SCHEMBL23494191 0.84 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL18768252 0.84 TSHR (0.37) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420072-B1 HEAT RESISTANCE AND DURABILITY AND IS SUPERIOR IN ELECTROCONDUCTIVITY, PARTICULARLY ION CONDUCTIVITY; CROSSLINKED POLYMER OF AN UNSATURATED MONOMER HAVING A NITROGEN-CONTAINING CATIONIC FUNCTIONAL GROUP (ACRYLONITRILE), TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-07-16 US disclosed
US-5721018-A Method for producing multilayer coatings HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-24 US disclosed