SCHEMBL2118716

SCHEMBL2118716

[CH2]CC#CCC(C)CC

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
SCHEMBL2121101 0.80 TSHR (0.39)
SCHEMBL2118992 0.80
SCHEMBL8406605 0.78
SCHEMBL8673141 0.78
SCHEMBL8673138 0.78
SCHEMBL11773417 0.77
SCHEMBL7161257 0.77
SCHEMBL2117792 0.76
SCHEMBL2118991 0.75
SCHEMBL3636291 0.75

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074757-B The manufacturing method of trifluoromethyl alkylthio chemical combination object 组合化学工业株式会社 2019-05-03 CN disclosed
CN-107074757-A The manufacture method of trifluoromethyl alkylthio compound 组合化学工业株式会社 2017-08-18 CN disclosed
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed
EP-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 EP disclosed
US-3944666-A Insecticidal compositions and methods of combatting insects using 3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)-cyclopropanecarboxylate insecticide with a synergistic compound of mono (alkyl and alkenyl)mono omega-alkynyl arylphosphonates FMC CORPORATION (US) 1976-03-16 US disclosed