SCHEMBL20143615

SCHEMBL20143615

CCCNC(C)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15926001 0.82 TSHR (0.39) TSHRTDP1
SCHEMBL24135439 0.82 ALDH1A1 (0.31) TSHR
SCHEMBL14608818 0.80
SCHEMBL12124963 0.79
SCHEMBL29078949 0.78 EPHX1 (0.46) TSHR
SCHEMBL19353004 0.78 EPHX1 (0.46) TSHR
SCHEMBL29078962 0.78 EPHX1 (0.46) TSHR
SCHEMBL29078951 0.78 EPHX1 (0.46) TSHR
SCHEMBL29078956 0.78 EPHX1 (0.46) TSHR
SCHEMBL19493987 0.78 EPHX1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968598-B2 Process of making stable abuse-deterrent oral formulations COLLEGIUM PHARMACEUTICAL, INC. (US) 2018-05-15 US disclosed