SCHEMBL8623090

SCHEMBL8623090

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 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
SCHEMBL1361712 0.96 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL7927406 0.81 ALDH1A1 (0.52) TSHRALDH1A1THRB
SCHEMBL71718 0.74 THRB (0.49) TSHRALDH1A1THRB
SCHEMBL101343 0.72 TSHR (0.43) TSHRALDH1A1
SCHEMBL11175930 0.71 TSHR (0.43) TSHRALDH1A1THRB
Acetone SCHEMBL28902214 0.70 TSHR (0.42) TSHRALDH1A1
SCHEMBL9781145 0.70 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL8442059 0.70 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL6245977 0.70 TSHR (0.42) TSHRALDH1A1
SCHEMBL21772350 0.69 TSHR (0.52) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4302361-A Pressure sensitive conductor JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-11-24 US claimed
US-4138369-A CURED SILICONE RUBBER, CONDUCTIVE METAL PARTICLES AND A MONO-, DI- OR TRI-ALKYL TITANATE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-02-06 US claimed
CN-115772296-A Multifunctional filling modified polypropylene master batch and preparation method and application thereof 江西广源新材料有限公司 2023-03-10 CN disclosed
US-5827626-A FORMING A FILM OF COLORED IMAGE FORMING MATERIAL COMPRISING A COPOLYMER OF STYRENE OR DERIVATIVE AND MONO OR DIESTER OF MALEIC ACID, PIGMENTS, PHOTOPOLYMERIZABLE UNSATURATED MONOMER, PHOTOINITIATOR; PHOTOCURING AND DEVELOPING HITACHI CHEMICAL CO., LTD. (JP) 1998-10-27 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
US-4302361-A Pressure sensitive conductor JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-11-24 US disclosed
US-4138369-A CURED SILICONE RUBBER, CONDUCTIVE METAL PARTICLES AND A MONO-, DI- OR TRI-ALKYL TITANATE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-02-06 US disclosed