SCHEMBL7928331

SCHEMBL7928331

CCC(=O)O[Ti](C=O)(OC(=O)CC)OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NAAA Q02083 1/20 0.32
FFAR3 O14843 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
SCHEMBL7930291 0.81 ALDH1A1 (0.48) ALDH1A1FFAR3
SCHEMBL10776917 0.73 ALDH1A1 (0.44) ALDH1A1TDP1NAAAFFAR3
SCHEMBL7930274 0.73 ALDH1A1 (0.44) ALDH1A1TDP1NAAAFFAR3
SCHEMBL10776927 0.67 ALDH1A1 (0.38) ALDH1A1TDP1NAAAFFAR3
Butanone SCHEMBL1129513 0.66
Butanone SCHEMBL11155372 0.66 ALDH1A1 (0.71) ALDH1A1TDP1FFAR3
Butanone SCHEMBL23673188 0.65
SCHEMBL525131 0.65
SCHEMBL10774330 0.65 ALDH1A1 (0.36) ALDH1A1TDP1NAAAFFAR3
SCHEMBL15655914 0.65 ALDH1A1 (0.43) ALDH1A1TDP1NAAAFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed