SCHEMBL7172909

SCHEMBL7172909

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 3/20 0.38
KMT2A Q03164 1/20 0.38
CALM1 P0DP23 1/20 0.38
KCNA3 P22001 1/20 0.37
IDO1 P14902 2/20 0.36
DRD4 P21917 1/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CA4 P22748 1/20 0.35
AGXT P21549 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8195059 0.86 LMNA (0.42) TSHRALDH1A1LTA4HKMT2ADRD4
SCHEMBL7593017 0.81 TSHR (0.39) TSHRTRPA1ALDH1A1LTA4HKMT2A
SCHEMBL7590714 0.81 TSHR (0.39) TSHRTRPA1ALDH1A1LTA4HKMT2A
SCHEMBL6912966 0.73 TSHR (0.42) TSHRTRPA1ALDH1A1LTA4HCALM1
SCHEMBL8195062 0.73 SCN4A (0.44) TSHRALDH1A1KMT2ADRD4TP53
SCHEMBL8191869 0.71 TSHR (0.50) TSHRTRPA1ALDH1A1KMT2ACALM1
SCHEMBL6912983 0.70 TP53 (0.44) TSHRTRPA1ALDH1A1LTA4HCALM1
SCHEMBL8183505 0.69 LMNA (0.42) TSHRALDH1A1LTA4HKMT2ADRD4
SCHEMBL193709 0.68 LTA4H (0.50) TSHRALDH1A1LTA4HKCNA3CA4
SCHEMBL618229 0.68 CALM1 (0.50) TSHRTRPA1ALDH1A1CALM1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502683-B2 Catalyst composition for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 2003-04-02 EP disclosed
EP-0694563-B1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON MITSUBISHI OIL CORP (JP) 2002-10-30 EP disclosed
US-6111040-A Process for the production of olefinic polymers NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-08-29 US disclosed
US-6077804-A Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 2000-06-20 US disclosed
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
EP-0745616-B1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO LTD (JP) 1999-04-07 EP disclosed
US-5886117-A Process using borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0742226-B1 Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1998-12-02 EP disclosed
US-5824618-A TITANIUM COMPOUND, GROUP 1-3 COMPOUND, ORGANOCYCLIC COMPOUND NIPPON OIL CO., LTD. (JP) 1998-10-20 US disclosed
US-5795839-A COORDINATION POLYMERIZATION CATALYST FOR POLYOLEFIN MANUFACTURE NIPPON OIL CO., LTD. (JP) 1998-08-18 US disclosed
US-5387567-A An additional polymerization catalysts consisting of a metal compounds selected from zirconium, titanium, hafnium and organosilane compound; molecular weight controller for broad molecular weight distribution NIPPON OIL CO., LTD. (JP) 1995-02-07 US disclosed
US-5331071-A Transition metal and alumoxane components NIPPON OIL CO., LTD. (JP) 1994-07-19 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
EP-0546690-A1 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1993-06-16 EP disclosed
US-5206197-A CATALYST COMPOSITION FOR PREPARATION OF SYNDIOTACTIC VINYL AROMATIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1993-04-27 US disclosed
EP-0520811-A2 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1992-12-30 EP disclosed
EP-0520816-A2 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1992-12-30 EP disclosed
EP-0502683-A1 Catalyst composition for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1992-09-09 EP disclosed
US-5066741-A Contacting monomers with complex catalyst THE DOW CHEMICAL COMPANY (US) 1991-11-19 US disclosed
EP-0421659-A2 Process for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed