SCHEMBL9245461

SCHEMBL9245461

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL10825002 0.91 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
SCHEMBL5317265 0.91 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
SCHEMBL7522645 0.89 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1
SCHEMBL9245453 0.89 ALDH1A1 (0.36) FFAR3ALDH1A1TDP1
SCHEMBL1230601 0.84 FFAR3 (0.33) GRIK1GRIK2FFAR3ALDH1A1TDP1
SCHEMBL5167976 0.84 ALDH1A1 (0.33) ALDH1A1TDP1
Acetic Acid SCHEMBL28280735 0.83 ALDH1A1 (0.38) FFAR3ALDH1A1TDP1
SCHEMBL28212797 0.83 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL8360659 0.82 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL4098148 0.82 ALDH1A1 (0.41) ALDH1A1TDP1

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