SCHEMBL424026

SCHEMBL424026

COC1(C)CCC(C)(OC)O1

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
SCHEMBL8336463 0.79
SCHEMBL11181011 0.75 EPHX1 (0.34)
SCHEMBL10421200 0.71
SCHEMBL8385079 0.69
Water SCHEMBL25402677 0.69
SCHEMBL2620631 0.67
SCHEMBL8038573 0.67
SCHEMBL16409614 0.65
SCHEMBL2730283 0.65
Water SCHEMBL25401298 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57136545-A None JP disclosed
WO-2021069736-A1 NEW CARBAZOLE DERIVATIVES SENSITIZING CELLS TO ANTI-CANCER AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-04-15 WO disclosed
EP-3804812-A1 NEW CARBAZOLE DERIVATIVES SENSITIZING CELLS TO ANTI-CANCER AGENTS Centre National de la Recherche Scientifique (FR) 2021-04-14 EP disclosed
EP-2411357-B1 SPRAY PROCESS FOR SELECTIVE OXIDATION UNIV KANSAS (US) 2018-04-25 EP disclosed
US-9238608-B2 Spray process for selective oxidation UNIVERSITY OF KANSAS (US) 2016-01-19 US disclosed
CN-102405207-A Spray process for selective oxidation UNIV KANSAS 2012-04-04 CN disclosed
EP-2411357-A2 SPRAY PROCESS FOR SELECTIVE OXIDATION University Of Kansas (US) 2012-02-01 EP disclosed
US-20120022287-A1 Spray Process for Selective Oxidation NATIONAL SCIENCE FOUNDATION 2012-01-26 US disclosed
WO-2010111288-A2 SPRAY PROCESS FOR SELECTIVE OXIDATION UNIVERSITY OF KANSAS (US) 2010-09-30 WO disclosed
EP-1081212-A2 Method for separating Furaneol by adsorption Degussa-Hüls Aktiengesellschaft (DE) 2001-03-07 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed
US-4904679-A Pyrrolophenylalkanolamines as animal yield promoters BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
EP-0289850-A2 Pyrrololphenylalkanol amines and their derivatives, process for their preparation and their use as performance promotors BAYER AG (DE) 1988-11-09 EP disclosed
JP-S57136545-A PREPARATION OF CYCLOPENTENONE DERIVATIVE SUMITOMO CHEM CO LTD 1982-08-23 JP disclosed