SCHEMBL7928113

SCHEMBL7928113

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
FGFR4 P22455 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
SCHEMBL7919233 0.75 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3795944 0.69 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
Acrolein SCHEMBL11293650 0.67 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL278164 0.64
SCHEMBL419299 0.64 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4583937 0.64 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Methyl Ester SCHEMBL28100369 0.63 HCAR2 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL584332 0.63
Butadiene SCHEMBL2488187 0.63 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL83524 0.61

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