SCHEMBL458794

SCHEMBL458794

CCc1[c]ccc(Br)c1

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
SCHEMBL206741 0.83 CHRNB2 (0.30)
SCHEMBL14941370 0.79 NPC1 (0.35)
SCHEMBL28130790 0.79
SCHEMBL8590827 0.78 CYP1A2 (0.35)
SCHEMBL27963011 0.77
SCHEMBL11636879 0.77
SCHEMBL2167419 0.77
SCHEMBL208769 0.77
SCHEMBL27828699 0.77 POLB (0.32)
SCHEMBL8050973 0.77 CYP1A2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP claimed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US claimed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110612296-A Phenyl derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN claimed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
CN-108047209-A It is a kind of new for Buddhist nun's class compound and preparation method and application 北京化工大学 2018-05-18 CN claimed
CN-105612150-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN claimed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005073197-A1 DERIVATIVES OF N-` (1,5-DIPHENYL-1H-PYRAZOL-3-YL) SULPHONAMIDE WITH CB1 RECEPTOR AFFINITY SANOFI-AVENTIS (FR) 2005-08-11 WO claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed