SCHEMBL9968028

SCHEMBL9968028

CP(C)(=O)C/C=C/Br

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
SCHEMBL9891059 0.73
SCHEMBL9968031 0.72
SCHEMBL3397260 0.71
SCHEMBL16124294 0.70
SCHEMBL11443334 0.67 TSHR (0.48)
SCHEMBL874362 0.67 TSHR (0.48)
SCHEMBL89170 0.63
SCHEMBL7334812 0.61
Phosphoric Acid SCHEMBL16110763 0.59 ALDH1A1 (0.39)
SCHEMBL193555 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802874-B2 Trihydroxy polyunsaturated eicosanoid derivatives UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-08-12 US disclosed
US-20130296590-A1 TRIHYDROXY POLYUNSATURATED EICOSANOID DERIVATIVES NATIONAL INSTITUTES OF HEALTH 2013-11-07 US disclosed
US-8481772-B2 Trihydroxy polyunsaturated eicosanoid derivatives UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-09 US disclosed
US-8461201-B2 Trihydroxy polyunsaturated eicosanoid derivatives UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-06-11 US disclosed
US-20120157700-A1 TRIHYDROXY POLYUNSATURATED EICOSANOID DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-06-21 US disclosed
US-20110237545-A1 TRIHYDROXY POLYUNSATURATED EICOSANOID DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-09-29 US disclosed
US-7902257-B2 Trihydroxy polyunsaturated eicosanoid UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-03-08 US disclosed
US-20090291916-A1 Trihydroxy Polyunsaturated Eicosanoid UNIVERSITY OF SOUTHERN CALIFORNIA 2009-11-26 US disclosed
US-7582785-B2 Trihydroxy polyunsaturated eicosanoid derivatives UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-09-01 US disclosed