SCHEMBL9347696

SCHEMBL9347696

C=C(C)C(=O)ON(O)CCC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL9347843 0.83 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL27472271 0.81 TSHR (0.42) TSHRALDH1A1THRBCA12CA2
SCHEMBL29055152 0.79 TSHR (0.41) TSHRALDH1A1THRBCA12CA2
SCHEMBL28994779 0.78 TSHR (0.40) TSHRALDH1A1THRBCA12CA2
SCHEMBL5693404 0.76 TSHR (0.39) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL8992744 0.76 TSHR (0.39) TSHRALDH1A1THRB
Phosphoric Acid SCHEMBL28245084 0.75 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL28852007 0.75 TSHR (0.46) TSHRALDH1A1THRBCA12CA9
SCHEMBL11519636 0.73 TSHR (0.48) TSHRALDH1A1THRBCA12CA9
SCHEMBL20917643 0.73 ALDH1A1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373052-A Copolymerizing ethylenically unsaturated amine polymer and matrix forming ethylenically unsaturated monomer NIPPON PAINT CO., LTD. (JP) 1994-12-13 US disclosed