SCHEMBL4333409

SCHEMBL4333409

CC1=Cc2c(C)cccc2[CH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TRPA1 O75762 2/20 0.31
CD44 P16070 1/20 0.31
ATM Q13315 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
SCHEMBL6652271 0.81 HTR7 (0.35) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL5079303 0.81 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL2480477 0.77 ALDH1A1 (0.35) CYP2A6CYP1A2TSHRALDH1A1
SCHEMBL2480408 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7628753 0.74 CA2 (0.40) TSHRALDH1A1CA2
SCHEMBL4326766 0.74 GABRA1 (0.40) TSHR
SCHEMBL7624416 0.73 ADORA3 (0.38) ACHE
SCHEMBL5721124 0.72 NUDT1 (0.34) CA1CA2CA7CA9TRPA1
SCHEMBL20548534 0.71 PDCD1 (0.38) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL7630253 0.70 GABRA1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
CN-111662338-B Monocyclopentadienyl fourth subgroup metal complex containing neutral amine or phosphine ligand side group and its use 吉林大学 2021-06-22 CN disclosed
CN-111662338-A Monocyclopentadienyl fourth subgroup metal complex containing neutral amine or phosphine ligand side group and its use 吉林大学 2020-09-15 CN disclosed
CN-105008408-B METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER 日本聚乙烯株式会社 2017-05-10 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed
CN-105008408-A METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER JAPAN POLYETHYLENE CORP 2015-10-28 CN disclosed
US-20130276519-A1 Methods of Separating Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2013-10-24 US disclosed
WO-2013158411-A1 METHODS OF SEPARATING COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-24 WO disclosed
CN-102459366-A Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2012-05-16 CN disclosed
CN-102459365-A Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2012-05-16 CN disclosed
US-6084043-A BRIDGED FUSED CYCLOPENTADIENE RINGS SUCH AS HEXAHYDROAZULENE WITH GIVEN SUBSTITUENTS DERIVATIVES WITH A GROUP 4B TRANSITION METAL; PRODUCES ALPHA-OLEFIN POLYMERS HAVING HIGH MELTING POINT AND HIGH MOLECULAR WEIGHT IN A HIGH YIELD MITSUBISHI CHEMICAL CORPORATION (JP) 2000-07-04 US disclosed
WO-2000035973-A1 ZWITTERIONIC, NEUTRAL TRANSITION METAL COMPOUND WHICH CONTAINS BORON TARGOR GMBH (DE) 2000-06-22 WO disclosed
EP-0997480-A1 CATALYTIC COMPONENTS FOR THE POLYMERIZATION OF OLEFINS, POLYMERIZATION CATALYSTS, AND PROCESS FOR POLYMERIZING OLEFINS BY USING THE SAME MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-05-03 EP disclosed
WO-1999011678-A2 INJECTION MOULDING ARTICLES MADE OF METALLOCENE AND POLYPROPYLENE TARGOR GMBH (DE) 1999-03-11 WO disclosed
EP-0697418-B1 Catalyst component for polymerization of alpha-olefins and process for producing alpha-olefin polymers using the same MITSUBISHI CHEM CORP (JP) 1998-05-06 EP disclosed
CN-1179784-A Method for producing prepolymerized catalyst EXXON CHEMICAL PATENTS INC (US) 1998-04-22 CN disclosed
CN-1169736-A Catalyst for olefin polymerization ASAHI CHEMICAL IND (JP) 1998-01-07 CN disclosed
EP-0798313-A1 OLEFIN POLYMERIZATION CATALYST Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
EP-0697418-A1 Catalyst component for polymerization of alpha-olefins and process for producing alpha-olefin polymers using the same MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-21 EP disclosed
CN-1107854-A Metalocenes compound HOECHST AG (DE) 1995-09-06 CN disclosed