SCHEMBL2594729

SCHEMBL2594729

CC1(C)C(=O)C=CC1=O

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
SCHEMBL11510268 0.78 CTSD (0.32)
SCHEMBL6834812 0.72
SCHEMBL2756774 0.70 GSK3A (0.40)
SCHEMBL14488795 0.69 CYP3A4 (0.32)
SCHEMBL1274158 0.68 PDK2 (0.31)
SCHEMBL11982290 0.67 HTR2A (0.33)
SCHEMBL9998921 0.67
SCHEMBL728858 0.67
SCHEMBL12123091 0.65
SCHEMBL3626473 0.61 CTSD (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2563826-A2 HIGH REFRACTIVE INDEX COMPOSITION Battelle Memorial Institute (US) 2013-03-06 EP disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US disclosed
WO-2011139856-A2 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2011-11-10 WO disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 US disclosed
US-20060252839-A1 Pharmaceutical compositions BIOGEM S.C.A.R.L. (IT) 2006-11-09 US disclosed
EP-1487789-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Ltd. (GB) 2004-12-22 EP disclosed
WO-2003082813-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-10-09 WO disclosed