SCHEMBL172994

SCHEMBL172994

CNCCCC(C)C

nearest known ligand 0.00

⚠ 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
SCHEMBL438894 0.91
SCHEMBL11213990 0.88 EPHX1 (0.50)
SCHEMBL22564692 0.88 EPHX1 (0.50)
SCHEMBL15346172 0.88 EPHX1 (0.50)
SCHEMBL17104335 0.88 EPHX1 (0.50)
SCHEMBL25122641 0.88 EPHX1 (0.50)
SCHEMBL17104337 0.88 EPHX1 (0.50)
SCHEMBL17104333 0.88 EPHX1 (0.50)
SCHEMBL2042220 0.88 EPHX1 (0.50)
SCHEMBL1508314 0.88 EPHX1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-105837766-B A kind of composite magnetic nano-particle Fe3O4/MPS/PAA/NTA-Ni2+And preparation method thereof and its application in histidine-tagged protein matter is isolated and purified 湖北工业大学 2018-06-26 CN claimed
US-20240226226-A1 KAPPA-OPIOID RECEPTOR AGONIST IMPLANTS FOR TREATMENT OF PRURITUS TITAN PHARMACEUTICALS INC (US) 2024-07-11 US disclosed
WO-2024140700-A1 BENZOTHIAZOLE COMPOUND, AND SYNTHESIS THEREFOR AND USE THEREOF 西北农林科技大学 2024-07-04 WO disclosed
WO-2024135828-A1 AVERMECTIN DERIVATIVE Meiji Seikaファルマ株式会社 2024-06-27 WO disclosed
US-12018267-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-06-25 US disclosed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
EP-4370505-A1 HERBICIDAL PHENYLURACILS BASF SE (DE) 2024-05-22 EP disclosed
US-11965171-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-04-23 US disclosed
CN-117897378-A Plants with increased tolerance to herbicides 巴斯夫农业种子解决方案美国有限责任公司 2024-04-16 CN disclosed
US-11939587-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-03-26 US disclosed
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2001048035-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
US-6001866-A ADMINISTERING A COMPOUND WHICH IS AN INHIBITOR OF THE ENZYME 15-LIPOXYGENASE (15-LO). WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5972980-A ADMINISTERING AN LIPOXYGENASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-10-26 US disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed
WO-1997012613-A1 METHOD FOR TREATING AND PREVENTING INFLAMMATION AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed