SCHEMBL7773164

SCHEMBL7773164

C=C(C)C(=O)NCOCC(C)C.NC(=O)CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL134916 0.92 TSHR (0.47) TSHRALDH1A1TGFBR1
SCHEMBL28479817 0.83 TSHR (0.43) TSHRALDH1A1TGFBR1
SCHEMBL27547001 0.82 PAOX (0.37) TSHRALDH1A1
SCHEMBL28108398 0.80 TSHR (0.35) TSHRALDH1A1
SCHEMBL2346839 0.76 ALDH1A1 (0.40) TSHRALDH1A1TGFBR1TDP1
SCHEMBL867377 0.76 TSHR (0.46) TSHRALDH1A1TGFBR1
SCHEMBL5569319 0.76 TDP1 (0.40) TSHRALDH1A1TGFBR1TDP1
SCHEMBL11024824 0.75 TSHR (0.36) TSHR
SCHEMBL7601590 0.75 TSHR (0.36) TSHRALDH1A1TGFBR1TDP1
SCHEMBL10947111 0.75 TSHR (0.43) TSHRALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121623-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000020926-A1 IONIZATION RADIATION IMAGEABLE PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-04-13 WO disclosed