SCHEMBL726454

SCHEMBL726454

CC(C)(C)c1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.34
PTPN5 P54829 1/20 0.31
TRPA1 O75762 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRKDC P78527 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL5597066 0.88 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL2047275 0.85 CA2 (0.48) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL28629170 0.82 CA2 (0.39) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL215708 0.80 ALDH1A1 (0.42) CA2ALDH1A1TDP1GABRA1GABRB2
SCHEMBL28623994 0.80 ALDH1A1 (0.42) CA2ALDH1A1TDP1GABRA1GABRB2
SCHEMBL2970978 0.80 PDK2 (0.39) ALDH1A1TDP1KIF11
SCHEMBL18242204 0.80 TSHR (0.30) TSHR
SCHEMBL3682899 0.79 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL27657380 0.79 ALDH1A1 (0.41) CA2ALDH1A1TDP1GABRA1GABRB2
SCHEMBL28113750 0.79 ALDH1A1 (0.41) CA2ALDH1A1TDP1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 WO claimed
JP-4771500-B2 2011-09-14 JP claimed
EP-0993478-B2 OLEFIN POLYMERIZATION PROCESS BOREALIS TECH OY (FI) 2011-01-19 EP claimed
US-6921799-B1 Olefin polymerization process BOREALIS A/S (DK) 2005-07-26 US claimed
EP-0993478-B1 OLEFIN POLYMERIZATION PROCESS BOREALIS TECH OY (FI) 2004-04-07 EP claimed
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed
JP-2000514488-A 2000-10-31 JP claimed
EP-0910591-A1 SYNDIOTACTIC/ATACTIC BLOCK POLYOLEFINS, CATALYSTS AND PROCESSES FOR PRODUCING THE SAME FINA RESEARCH S.A. (BE) 1999-04-28 EP claimed
WO-1998002469-A1 SYNDIOTACTIC/ATACTIC BLOCK POLYOLEFINS, CATALYSTS AND PROCESSES FOR PRODUCING THE SAME FINA RESEARCH S.A. (BE) 1998-01-22 WO claimed
EP-0512554-A2 Cyclopetadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1992-11-11 EP claimed
WO-2024073260-A1 ETHYLENE COPOLYMERS FOR PHOTOVOLTAIC CELLS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-04-04 WO disclosed
WO-2023114815-A1 PROCESSES FOR MAKING POLYOLEFINS WITH COMPOSITION CONTROL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-06-22 WO disclosed
CN-113302213-B Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2023-04-14 CN disclosed
CN-113302213-A Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2021-08-24 CN disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
US-5670589-A COORDINATION POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-09-23 US disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed
EP-0726271-A1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1996-08-14 EP disclosed