SCHEMBL7930630

SCHEMBL7930630

O=CO[Ti]1(OC=O)C2c3ccccc3-c3cccc(c32)CCc2cccc3c2C1c1ccccc1-3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
CES1 P23141 1/20 0.33
ACP3 P15309 1/20 0.31
CETP P11597 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
SCHEMBL7924507 0.91 HTR2A (0.35) CES1
SCHEMBL7919490 0.79 POLB (0.30)
SCHEMBL7925574 0.78 POLB (0.42) HTR1ADRD2CETP
SCHEMBL7919279 0.78 ALDH1A1 (0.34) HTR1AACP3
SCHEMBL7925878 0.76 MEN1 (0.35) HTR1ADRD2CETP
SCHEMBL7928586 0.76 HTT (0.39) CETP
SCHEMBL7927183 0.75 DRD1 (0.37) HTR1ADRD2CETP
SCHEMBL7925516 0.74 POLB (0.35) HTR1ADRD2CETP
SCHEMBL7919221 0.73 ALDH1A1 (0.42) HTR1ADRD2
SCHEMBL7925573 0.73 KCNN4 (0.36)

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