SCHEMBL3384505

SCHEMBL3384505

Cc1ccc(C)[n-]1.[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Lithium Ion SCHEMBL1925246 0.92
SCHEMBL2316391 0.92 ACHE (0.33)
P-Xylene SCHEMBL28206161 0.55 ACHE (0.80)
P-Xylene SCHEMBL8821250 0.55 ACHE (0.80)
SCHEMBL310954 0.52
P-Xylene SCHEMBL28196715 0.52 ACHE (0.73)
P-Xylene SCHEMBL11772917 0.51 ACHE (1.00)
P-Xylene SCHEMBL11770184 0.51 ACHE (1.00)
P-Xylene SCHEMBL460348 0.51 ACHE (1.00)
P-Xylene SCHEMBL771 0.51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020114745-A1 METHODS FOR SEPARATING LINEAR ALPHA OLEFINS FROM COMBINED PRODUCT STREAMS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-06-11 WO disclosed
US-9421534-B2 Production method of α-olefin low polymer MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-23 US disclosed
US-9272961-B2 Production method of polyolefin, polyolefin and 1-hexene for linear low density polyethylene production raw material MITSUBISHI CHEMICAL CORPORATION (JP) 2016-03-01 US disclosed
US-20100331503-A1 PRODUCTION METHOD OF POLYOLEFIN, POLYOLEFIN AND 1-HEXENE FOR LINEAR LOW DENSITY POLYETHYLENE PRODUCTION RAW MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-12-30 US disclosed
US-20100093952-A1 DEPOSIT DEACTIVATION TREATMENT METHOD MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 US disclosed
US-20100036185-A1 PRODUCTION METHOD OF ETHYLENE LOW POLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed
US-20100030000-A1 PRODUCTION METHOD OF ALPHA-OLEFIN LOW POLYMER AND STORAGE METHOD OF PYRROLE COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-04 US disclosed
US-20090326297-A1 PRODUCTION METHOD OF ALPHA-OLEFIN LOW POLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2098543-A1 PROCESS FOR PRODUCTION OF POLYOLEFINS, POLYOLEFINS, AND 1-HEXENE TO BE USED AS RAW MATERIAL IN PRODUCING LINEAR LOW-DENSITY POLYETHYLENE Mitsubishi Chemical Corporation (JP) 2009-09-09 EP disclosed
EP-2098542-A1 PROCESS FOR PRODUCTION OF -OLEFIN LOW POLYMERS Mitsubishi Chemical Corporation (JP) 2009-09-09 EP disclosed
US-5523507-A USING A SUPPORTED OR UNSUPPORTED COMPLEX OF A CHROMIUM COMPOUND, A SECONDARY AMINE, AN ELECTRON PAIR DONOR SOLVENT AND A HYDROCARBYLALUMINUM ACTIVATOR TO REACT UNSATURATED HYDROCARBONS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed
US-5470926-A Process of polymerizing olefins in the presence of a chromium-containing catalyst PHILLIPS PETROLEUM COMPANY (US) 1995-11-28 US disclosed
EP-0417477-B1 Process for olefin polymerization PHILLIPS PETROLEUM CO (US) 1995-10-18 EP disclosed
US-5451645-A Chromium containing catalyst, density, homopolymers that acts like copolymer PHILLIPS PETROLEUM COMPANY (US) 1995-09-19 US disclosed
US-5376612-A Selective catalysts for trimerization, oligomerization or polymerization of olefins PHILLIPS PETROLEUM COMPANY (US) 1994-12-27 US disclosed
US-5331104-A Trimerization of ethylene PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US disclosed
US-5288823-A Alpha-olefin polymerization with chromium pyrrolides on inorganic support PHILLIPS PETROLEUM COMPANY (US) 1994-02-22 US disclosed
US-5198563-A Olefin Polymerization Catalyst Complexes PHILLIPS PETROLEUM COMPANY (US) 1993-03-30 US disclosed
EP-0417477-A2 Process for olefin polymerization PHILLIPS PETROLEUM COMPANY (US) 1991-03-20 EP disclosed
EP-0416304-A2 Chromium compounds and uses thereof PHILLIPS PETROLEUM COMPANY (US) 1991-03-13 EP disclosed