SCHEMBL15044654

SCHEMBL15044654

C#CCO[C@@H]1C=C[C@H](OC(C)CBr)C1

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
SCHEMBL15044657 0.71
SCHEMBL5512692 0.55
SCHEMBL24212815 0.54 CHRM2 (0.32)
SCHEMBL20668536 0.52 CHRM2 (0.38)
SCHEMBL27430861 0.51
SCHEMBL24221017 0.51 HRH3 (0.40)
SCHEMBL24188294 0.49 CHRM2 (0.31)
SCHEMBL2684271 0.49
SCHEMBL15649688 0.49
SCHEMBL18475737 0.49 CHRM2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487541-B2 Fused tricyclic ether carbamates and their use PURDUE RESEARCH FOUNDATION (US) 2016-11-08 US disclosed
US-20140179754-A1 FUSED TRICYCLIC ETHER CARBAMATES AND THEIR USE NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2014-06-26 US disclosed
US-8563597-B2 Fused tricyclic ether carbamates and their use PURDUE RESEARCH FOUNDATION (US) 2013-10-22 US disclosed
US-20130158094-A1 FUSED TRICYCLIC ETHER CARBAMATES AND THEIR USE PURDUE RESEARCH FOUNDATION (US) 2013-06-20 US disclosed