SCHEMBL9246271

SCHEMBL9246271

C=CCC(C)OC(=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9246267 0.89 TSHR (0.35) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL766966 0.83
SCHEMBL5245923 0.82 TSHR (0.44) TSHR
SCHEMBL766965 0.80 TSHR (0.35) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL27545606 0.80 ALOX15 (0.40)
SCHEMBL19418189 0.78
SCHEMBL6291341 0.78
SCHEMBL9541746 0.78
SCHEMBL8765464 0.77 HCAR2 (0.43) GRIK1GRIK2TSHR
SCHEMBL87648 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442096-A Compound contains a alpha-ketoester and a polymerizable double bond NIPPON PAINT CO., LTD. (JP) 1995-08-15 US disclosed
EP-0621258-A1 Polymerisable compound and polymer therefrom Nippon Paint Co., Ltd. (JP) 1994-10-26 EP disclosed
US-5248749-A Adhesives and coatings NIPPON PAINT CO., LTD. (JP) 1993-09-28 US disclosed
US-5169896-A Curable mixture of compound having at least two hydroxyl group and homo- or copolymer with alpha-ketoester group and double bond; esterification; coatings, adhesives, plastics NIPPON PAINT CO., LTD. (JP) 1992-12-08 US disclosed
US-5117044-A Unsaturated ester NIPPON PAINT CO., LTD. (JP) 1992-05-26 US disclosed
EP-0378429-A2 Polymerisable compound and polymer therefrom NIPPON PAINT CO., LTD. (JP) 1990-07-18 EP disclosed