SCHEMBL9512435

SCHEMBL9512435

CCCCc1ccc(C#Cc2ccc(OCCC)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.41
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9510193 0.97 TSHR (0.41) ACACBTSHRHSD17B10
SCHEMBL7851550 0.96 HSD17B10 (0.42) ACACBTSHRHSD17B10
SCHEMBL9512209 0.96 HSD17B10 (0.42) ACACBTSHRHSD17B10
SCHEMBL9508718 0.96 ACACB (0.39) ACACBTSHRHSD17B10
SCHEMBL9512448 0.95 HSD17B10 (0.44) ACACBTSHRHSD17B10
SCHEMBL9508946 0.95 HSD17B10 (0.44) ACACBTSHRHSD17B10
SCHEMBL9512321 0.95 TSHR (0.40) ACACBTSHRHSD17B10
SCHEMBL9512226 0.94 HSD17B10 (0.46) ACACBTSHRHSD17B10
SCHEMBL9512279 0.94 HSD17B10 (0.42) ACACBTSHRHSD17B10
SCHEMBL9509121 0.93 HSD17B10 (0.48) ACACBTSHRHSD17B10

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed