SCHEMBL193709

SCHEMBL193709

c1ccc(O[Ti](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.45
KCNA3 P22001 1/20 0.41
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SRC P12931 1/20 0.36
SCN4A P35499 2/20 0.36
AOC3 Q16853 1/20 0.36
APP P05067 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL28759416 0.83 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL11393230 0.83 CA4 (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6329785 0.79 CA4 (0.46) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL7593738 0.78 LTA4H (0.47) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL17607338 0.77 CA4 (0.39) LTA4HTSHRCA4MAOATAAR1
SCHEMBL9474171 0.77 CA4 (0.39) LTA4HTSHRCA4MAOATAAR1
SCHEMBL20513935 0.77 CA4 (0.39) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL20513177 0.77 CA4 (0.39) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL9062579 0.77 LTA4H (0.43) LTA4HTSHRCA4KCNA3L3MBTL1
SCHEMBL20513218 0.75 LTA4H (0.35) LTA4HTSHRCA4KCNA3

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 1941 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344275-A Bio-based branching agent, preparation method and preparation method of low-melt-index long-chain branched polybutylene terephthalate-adipate 大连理工大学 2024-07-16 CN claimed
CN-118305313-A Preparation method of high dielectric constant powder composite foil 南通海星电子股份有限公司 2024-07-09 CN claimed
CN-115850694-B Polymeric carbodiimide compound hydrolysis-resistant agent and preparation method and application thereof 上海朗亿功能材料有限公司 2024-06-18 CN claimed
CN-118076766-A Oxidation protection layer for steel or iron-based alloy engine pistons 辉门纽伦堡有限责任公司 2024-05-24 CN claimed
CN-117247539-B Hyperbranched polyester amide polyol and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-03-22 CN claimed
CN-117247539-A Hyperbranched polyester amide polyol and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-12-19 CN claimed
CN-116987251-A Preparation method for synthesizing high-intrinsic-viscosity polybutylene terephthalate 东华工程科技股份有限公司 2023-11-03 CN claimed
CN-116535624-A Polyester with improved rheological properties, and preparation method and application thereof 中国神华煤制油化工有限公司 2023-08-04 CN claimed
CN-116478382-A Aromatic heat-resistant toughened polyester and preparation method thereof 复旦大学 2023-07-25 CN claimed
CN-116194510-A End-modified polyester resin, composition, molded article, and process for producing the same 东丽先端材料研究开发(中国)有限公司 2023-05-30 CN claimed
US-4820672-A REACTING MAGNESIUM OR ORGANOMAGNESIUM COMPOUNDS, HYDROGEN CHLORIDE, CHLOROALCOHOL, BETA-ALKYL SUBSTITUTED ALCOHOLS; POLY CAT OR SUPPORTS LITHIUM CORPORATION OF AMERICA (US) 1989-04-11 US claimed
WO-1989000590-A1 PRODUCTION OF POLYCARBONATES BP CHEMICALS LIMITED (GB) 1989-01-26 WO claimed
EP-0299773-A1 Production of polycarbonates BP Chemicals Limited (GB) 1989-01-18 EP claimed
US-4713414-A MULTIPHASE COMPOSITE INTERPOLYMER AND REACTIVE TITANATE CELANESE CORPORATION (US) 1987-12-15 US claimed
US-4440869-A COORDINATION CATALYST BY DISSOLVING A SILOXY MAGNESIUM AND A TITANATE IN AN ALIPHATIC HYDROCARBON AND CHLORINATING CONOCO INC. (US) 1984-04-03 US claimed
US-4377684-A Decolorization of polycarbonate resins GENERAL ELECTRIC COMPANY (US) 1983-03-22 US claimed
US-4338219-A Catalyst compositions used for copolymerization of isomonoolefins with conjugated dienes PHILLIPS PETROLEUM COMPANY (US) 1982-07-06 US claimed
US-4105845-A NICKEL SOURCE COMPLEX WITH TITANIUM OR VANADIUM COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1978-08-08 US claimed
US-4085250-A ORGANO TITANATE LATENT CATALYST WESTINGHOUSE ELECTRIC CORPORATION (US) 1978-04-18 US claimed
US-3998983-A Resin rich epoxide-mica flexible high voltage insulation WESTINGHOUSE ELECTRIC CORPORATION (US) 1976-12-21 US claimed