SCHEMBL9243287

SCHEMBL9243287

C=CCCOOC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28516066 0.83 ALDH1A1 (0.48) TSHRALDH1A1THRB
SCHEMBL12863723 0.81 THRB (0.52) TSHRALDH1A1THRBLMNACA2
SCHEMBL1243374 0.79 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL809330 0.79 THRB (0.53) TSHRALDH1A1THRBLMNACA2
SCHEMBL9469752 0.77 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL10537209 0.77 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL5494393 0.77 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL2946008 0.77 TSHR (0.53) TSHRALDH1A1THRB
Bicarbonate SCHEMBL29257315 0.76 THRB (0.50) TSHRALDH1A1THRBLMNACA2
SCHEMBL728532 0.75 THRB (0.59) TSHRALDH1A1THRBCA2

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
EP-0328321-B1 Water soluble acrylic polymerisable materials, polymers made from them, and processes of making them ALLIED COLLOIDS LTD (GB) 1995-05-17 EP disclosed
EP-0328321-A2 Water soluble acrylic polymerisable materials, polymers made from them, and processes of making them Ciba Specialty Chemicals Water Treatments Limited (GB) 1989-08-16 EP disclosed
US-4684691-A DISPERSION BAYER AKTIENGESELLSCHAFT (DE) 1987-08-04 US disclosed
US-4133793-A Compositions containing novel methacrylic polymers having allyl functionality ROHM AND HAAS COMPANY (US) 1979-01-09 US disclosed