SCHEMBL3795944

SCHEMBL3795944

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3793038 0.70 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL7919233 0.69 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7928113 0.69 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4583937 0.64 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5029222 0.63
SCHEMBL28245888 0.62
Acrolein SCHEMBL11293650 0.62 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL419299 0.59 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL278164 0.59
SCHEMBL6672066 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763357-B2 Polymer composite synthesis in supercritical fluids CHARPENTIER PAUL A 2010-07-27 US disclosed
US-20060194928-A1 Polymer composite synthesis in supercritical fluids CHARPENTIER PAUL A 2006-08-31 US disclosed
US-5962550-A BLEND OF GLASS POWDER AND ACRYLIC POLYMER GC CORPORATION (JP) 1999-10-05 US disclosed
US-5773489-A TITANIUM, ZIRCONIUM, YTTRIUM, LANTHANUM, TANTALUM, ALUMINUM OXIDES LINKED TO ORGANIC REACTIVE COMPOUND GC CORPORATION (JP) 1998-06-30 US disclosed