SCHEMBL4891441

SCHEMBL4891441

C=C(C#N)C(=O)OC(C)(C)OCC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C9 P11712 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL4889664 0.83 TSHR (0.46) ALDH1A1TSHR
SCHEMBL775782 0.79 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL11806283 0.79 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL11150709 0.78 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL1897241 0.77 THRB (0.47) ALDH1A1TSHRTHRB
SCHEMBL22719855 0.77 TSHR (0.46) ALDH1A1TSHR
SCHEMBL451457 0.77 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL22426094 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL29445 0.72
SCHEMBL27647336 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP2C9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
US-20180340130-A1 LUBRICANT COMPOSITION NOK KLUBER., LTD (JP) 2018-11-29 US disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed