SCHEMBL458580

SCHEMBL458580

CC(O)C1CC=CC1

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
SCHEMBL11580396 0.88
SCHEMBL5950688 0.82
SCHEMBL21827223 0.81
SCHEMBL21827364 0.81
SCHEMBL21830269 0.81
Methane SCHEMBL7902447 0.80 ALDH1A1 (0.32)
SCHEMBL25018253 0.77
SCHEMBL11580030 0.73
SCHEMBL10471002 0.73
SCHEMBL1524775 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 US disclosed
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
EP-2614049-B1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics GmbH (AT) 2018-02-28 EP disclosed
US-9278920-B2 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-03-08 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
EP-2614049-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics AG (AT) 2013-07-17 EP disclosed
EP-2433926-A1 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2012-03-28 EP disclosed
WO-2012031307-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2012-03-15 WO disclosed