SCHEMBL17592145

SCHEMBL17592145

CCCC(C)CC1CC[CH]CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL11191159 0.83
SCHEMBL26999135 0.80 TSHR (0.39) TSHR
SCHEMBL28098164 0.78 CYP1A2 (0.43) TSHR
SCHEMBL21085120 0.78 ALDH1A1 (0.30)
SCHEMBL6520741 0.77
SCHEMBL22433073 0.76 TSHR (0.32) TSHR
SCHEMBL23101911 0.75 TSHR (0.34) TSHR
SCHEMBL18896335 0.75 TSHR (0.44) TSHR
SCHEMBL17592628 0.75 NCF1 (0.35) TSHR
SCHEMBL19173663 0.75 CPN1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO claimed