Propene

Propene

SCHEMBL3399459

C=CC.CCCCCc1ccc2ccccc2c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
BCHE P06276 3/20 0.51
THRB P10828 2/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GPR3 P46089 1/20 0.44
THRA P10827 1/20 0.44

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
SCHEMBL598156 0.91 SIGMAR1 (0.62) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL6066140 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL31490433 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
Methane SCHEMBL28582835 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL11515396 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL598951 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL9299473 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL598615 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL598910 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1
SCHEMBL598100 0.90 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2A6BCHEHDAC1

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-0541782-B1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE AMOCO CORP (US) 1996-02-07 EP claimed
US-5262560-A Process for preparing purified dimethyl naphthalenedicarboxylate AMOCO CORPORATION (US) 1993-11-16 US claimed
US-5254719-A Esterification, crystallization and recrystallization for removal of cobalt and manganese catalyst residues AMOCO CORPORATION (US) 1993-10-19 US claimed
EP-0541782-A1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE. AMOCO CORP (US) 1993-05-19 EP claimed
WO-1992021645-A1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE AMOCO CORPORATION (US) 1992-12-10 WO claimed
EP-0324342-B1 PROCESS FOR PRODUCING 2,6-NAPHTHALENE DICARBOXYLIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-09 EP claimed
US-5110982-A PROCESS FOR PRODUCING 2,6-NAPTHALENE DICARBOXYLIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-05-05 US claimed
EP-0439007-A2 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-07-31 EP claimed
US-4886906-A OXIDIZING 2-ALKYL-6-ACYLNAPHTHALENE USING CATALYST OF COBALT, MANGANESE, BROMINE AND IRON OR COPPER IN ACETIC ACID SOLVENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-12 US claimed
EP-0324342-A1 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-07-19 EP claimed
CN-113185400-B Purification method of 2, 6-naphthalene dicarboxylic acid 唐山开滦化工科技有限公司 2022-12-27 CN disclosed
CN-113185400-A Purification method of 2, 6-naphthalenedicarboxylic acid 唐山开滦化工科技有限公司 2021-07-30 CN disclosed
EP-1753709-B1 RECYCLING 2,6-NAPHTHALENEDICARBOXYLIC ACID (2,6-NDA) CONTAINED IN POLYETHYLENE NAPHTHALATE IN A PROCESS TO PRODUCE DIESTERS BP CORP NORTH AMERICA INC (US) 2010-11-03 EP disclosed
CN-100334058-C Production of 2-alkyl-6-acyl-naphthaline UNIV EAST CHINA SCIENCE & TECH (CN) 2007-08-29 CN disclosed
US-7247742-B2 Recycling polyethylene naphthalate containing materials in a process to produce diesters BP CORPORATION NORTH AMERICA INC. (US) 2007-07-24 US disclosed
EP-0432910-A2 Process for producing highly pure 2, 6 naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-19 EP disclosed
US-4886906-A OXIDIZING 2-ALKYL-6-ACYLNAPHTHALENE USING CATALYST OF COBALT, MANGANESE, BROMINE AND IRON OR COPPER IN ACETIC ACID SOLVENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-12 US disclosed
US-4886906-A OXIDIZING 2-ALKYL-6-ACYLNAPHTHALENE USING CATALYST OF COBALT, MANGANESE, BROMINE AND IRON OR COPPER IN ACETIC ACID SOLVENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-12 US disclosed
EP-0324342-A1 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-07-19 EP disclosed
EP-0324342-A1 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-07-19 EP disclosed