SCHEMBL7927406

SCHEMBL7927406

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.35
ELANE P08246 1/20 0.31

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
SCHEMBL9781145 0.81 THRB (0.44) ALDH1A1TSHRTHRBHSD17B10
SCHEMBL1361712 0.81 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL8442059 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL8623090 0.81 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL8440933 0.76 ALDH1A1 (0.37) ALDH1A1TSHRTDP1THRB
SCHEMBL9747107 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTDP1THRB
SCHEMBL5090078 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTDP1THRBELANE
SCHEMBL11175930 0.72 TSHR (0.43) ALDH1A1TSHRTDP1THRB
SCHEMBL15963 0.71 ALDH1A1 (0.61) ALDH1A1TSHRTDP1THRBHSD17B10
SCHEMBL2215339 0.71 ALDH1A1 (0.61) ALDH1A1TSHRTDP1THRBHSD17B10

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