SCHEMBL7919199

SCHEMBL7919199

CCCC(=O)O[Ti](OC(=O)CCC)(OC(=O)CCC)C1=C(C)C=CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NLRP3 Q96P20 1/20 0.34
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL7928685 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7925572 0.73 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL7925888 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7928427 0.71 ALDH1A1 (0.36) ALDH1A1NLRP3KDM4EGLAGAA
SCHEMBL7924814 0.66
SCHEMBL7927568 0.65 ALDH1A1 (0.36) ALDH1A1NLRP3
SCHEMBL7925912 0.62 ALDH1A1 (0.57) ALDH1A1GAA
SCHEMBL7925647 0.61 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5888526 0.61
SCHEMBL21322139 0.61 BCL9 (0.33) ALDH1A1NLRP3KMT2A

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