SCHEMBL618229

SCHEMBL618229

c1ccc(C[Ti](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.45
IDO1 P14902 3/20 0.45
LOXL2 Q9Y4K0 2/20 0.45
TP53 P04637 1/20 0.45
TRPA1 O75762 1/20 0.45
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PRSS3 P35030 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL727560 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL7595495 0.75 ALDH1A1 (0.46) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL7593691 0.75 TSHR (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL7596375 0.75 ALDH1A1 (0.46) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL5615038 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL8599352 0.75 CES2 (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL7593388 0.75 TSHR (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL726277 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL15349439 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL7589587 0.75 TSHR (0.48) CALM1TSHRALDH1A1IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118240190-B Low-temperature-resistant polycaprolactone polyol, preparation method of low-temperature-resistant polycaprolactone polyol and polyurethane resin thereof, and ink 湖南聚仁新材料股份公司 2024-08-23 CN claimed
CN-118240190-A Low-temperature-resistant polycaprolactone polyol, preparation method of low-temperature-resistant polycaprolactone polyol and polyurethane resin thereof, and ink 湖南聚仁新材料股份公司 2024-06-25 CN claimed
CN-115160547-B Polycaprolactone polyol, preparation method thereof and coating 湖南聚仁化工新材料科技有限公司 2023-05-09 CN claimed
CN-115160547-A Polycaprolactone polyol, preparation method thereof and coating 湖南聚仁化工新材料科技有限公司 2022-10-11 CN claimed
CN-102369207-B Metal hydrazide materials UNIV WINDSOR 2014-09-10 CN claimed
EP-2382224-B1 METAL HYDRAZIDE MATERIALS UNIV WINDSOR (CA) 2014-05-21 EP claimed
US-8562717-B2 Metal hydrazide materials ANTONELLI, DAVID MICHAEL (CA) 2013-10-22 US claimed
CN-102453174-B Catalyst and styrene polymerization method CHINA PETROLEUM & CHEMICAL 2013-02-27 CN claimed
CN-102453174-A Catalyst and styrene polymerization method CHINA PETROLEUM & CHEMICAL 2012-05-16 CN claimed
CN-102369207-A Metal hydrazide materials UNIV WINDSOR 2012-03-07 CN claimed
US-5605990-A USING CATALYST COMPRISING TITANIUM COMPOUND, ALUMINOXANE, AROMATIC RING-CONTAINING COMPOUND IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-02-25 US claimed
WO-1996040796-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO claimed
WO-1996023005-A1 A SUPPORTED CATALYTIC ACTIVATOR W.R. GRACE & CO.-CONN. (US) 1996-08-01 WO claimed
EP-0420134-B1 Process for producing styrene polymers IDEMITSU KOSAN CO (JP) 1996-02-07 EP claimed
EP-0474391-B1 Polyolefins NIPPON OIL CO LTD (JP) 1995-10-25 EP claimed
EP-0614916-A1 Process for producing polyolefin IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-09-14 EP claimed
EP-0293439-B1 SEMI-INSULATING GROUP III-V BASED COMPOSITIONS AT&T Corp. (US) 1993-04-21 EP claimed
EP-0474391-A2 Polyolefins NIPPON OIL CO. LTD. (JP) 1992-03-11 EP claimed
EP-0420134-A2 Process for producing styrene polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-04-03 EP claimed
US-4187210-A TRANSITION METAL COMPOUND INTERACTED AT SURFACE OF FILLER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-05 US claimed