SCHEMBL9640205

SCHEMBL9640205

C=C(C)C(=O)OCCOC(=O)C(=C)C.CC(C)(CO)CO

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL2120830 0.90 TSHR (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3733736 0.86 TSHR (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8773894 0.83 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27278 0.83 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13562453 0.82 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL57404 0.82 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL8740543 0.82 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL2367613 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158478-B1 METHACRYLIC RESIN MOLDING MATERIAL AND METHOD FOR PRODUCTION THEREOF Kuraray Co., Ltd. (JP) 1992-07-22 EP disclosed
US-4791184-A PARTIALLY CROSSLINKED GEL BY STOICHIOMETRIC CONTROL OF THE INITIATED POLYMERIZATION OF METHACRYLATE AND CROSSLINKING AGENT; HEAT AND SOLVENT RESISTANCE KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1988-12-13 US disclosed
EP-0158478-A2 Methacrylic resin molding material and method for production thereof Kuraray Co., Ltd. (JP) 1985-10-16 EP disclosed