SCHEMBL7196350

SCHEMBL7196350

CNC(=O)C(=COCC(C)C)OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL6758103 0.70 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL967608 0.68
SCHEMBL13513774 0.65 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9058848 0.65 TSHR (0.34) TSHRALDH1A1
SCHEMBL27595893 0.64 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1
SCHEMBL13741317 0.63 SMN1; SMN2 (0.51) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5613152 0.63 TSHR (0.38) TSHRALDH1A1
SCHEMBL2850322 0.63 TSHR (0.34) TSHR
SCHEMBL4425917 0.62
SCHEMBL304813 0.62

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-0726294-B1 Asphalt cement modification GOODYEAR TIRE & RUBBER (US) 2003-05-02 EP claimed
EP-0750014-B1 Self-crosslinkable paint binder and lacquer ATOCHEM ELF SA (FR) 1998-05-13 EP claimed
EP-0750014-A1 Self-crosslinkable paint binder and lacquer ELF ATOCHEM S.A. (FR) 1996-12-27 EP claimed
EP-0750014-B1 Self-crosslinkable paint binder and lacquer ATOCHEM ELF SA (FR) 1998-05-13 EP disclosed
EP-0750014-A1 Self-crosslinkable paint binder and lacquer ELF ATOCHEM S.A. (FR) 1996-12-27 EP disclosed