SCHEMBL3117239

SCHEMBL3117239

CCCC(C)C[Mg]Cl

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
SCHEMBL10546329 1.00
SCHEMBL10543361 1.00
SCHEMBL10540976 0.84
SCHEMBL10542838 0.84
SCHEMBL10545418 0.84
SCHEMBL17287315 0.80 ACE2 (0.44)
SCHEMBL31187930 0.80 ACE2 (0.44)
SCHEMBL25202051 0.77 LMNA (0.35)
SCHEMBL31181919 0.77 ACE2 (0.41)
SCHEMBL2333893 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9718840-B2 Condensed 5-oxazolidinone derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-01 US disclosed
US-20170022218-A1 CONDENSED 5-OXAZOLIDINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-01-26 US disclosed
EP-3095786-A1 CONDENSED 5-OXAZOLIDINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-11-23 EP disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 EP disclosed
US-8283482-B2 Method for producing cross-coupling compound KAO CORPORATION (JP) 2012-10-09 US disclosed
US-20100048929-A1 METHOD FOR PRODUCING CROSS-COUPLING COMPOUND KAO CORPORATION (JP) 2010-02-25 US disclosed
EP-2143705-A1 METHOD FOR PRODUCING CROSS-COUPLING COMPOUND Kao Corporation (JP) 2010-01-13 EP disclosed
US-4822804-A 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1989-04-18 US disclosed
US-4564620-A 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1986-01-14 US disclosed
EP-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 EP disclosed
EP-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 EP disclosed