SCHEMBL128705

SCHEMBL128705

COc1cccc(C)n1

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
SCHEMBL29687348 1.00
Bromide SCHEMBL31499221 0.98 CCR1 (0.48)
Potassium SCHEMBL29723803 0.98 CCR1 (0.48)
SCHEMBL6081932 0.91 CCR1 (0.43)
Formic Acid SCHEMBL28565943 0.88 CCR1 (0.40)
SCHEMBL22611082 0.86
SCHEMBL160602 0.84 BTK (0.47)
SCHEMBL14082025 0.82 CCR1 (0.52)
SCHEMBL23920187 0.82 GABRA5 (0.45)
SCHEMBL510824 0.80

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 1035 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999740-B2 Fused pyrazine derivatives as A2A / A2B inhibitors INCYTE CORPORATION (US) 2024-06-04 US claimed
CN-117926235-A Halogen-free high-stability chemical palladium plating bath 江苏矽智半导体科技有限公司 2024-04-26 CN claimed
US-11400056-B2 Pharmaceutical composition comprising gallstone solubilizer for treatment of gallbladder disease SurgiNex Co., Ltd. (KR) 2022-08-02 US claimed
US-20220135570-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-05-05 US claimed
EP-3818063-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS Incyte Corporation (US) 2021-05-12 EP claimed
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US claimed
US-20200030257-A1 PHARMACEUTICAL COMPOSITION COMPRISING GALLSTONE SOLUBILIZER FOR TREATMENT OF GALLBLADDER DISEASE SURGINEX CO.,LTD. (KR) 2020-01-30 US claimed
US-20200031835-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2020-01-30 US claimed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US claimed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed