SCHEMBL9508008

SCHEMBL9508008

CCCO[C@@H](C)CC[C@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.35

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
SCHEMBL9507992 1.00 TDP1 (0.47) TDP1HSD17B10TSHR
SCHEMBL9511111 1.00 TDP1 (0.47) TDP1HSD17B10TSHR
SCHEMBL9511106 0.86 TDP1 (0.39) TDP1HSD17B10TSHR
SCHEMBL9511088 0.86 TDP1 (0.39) TDP1HSD17B10TSHR
SCHEMBL9509826 0.86 TDP1 (0.39) TDP1HSD17B10TSHR
SCHEMBL8391098 0.86 TDP1 (0.35) TDP1HSD17B10TSHR
SCHEMBL9507530 0.85 DNM1 (0.39) TDP1HSD17B10
SCHEMBL9508720 0.83 DNM1 (0.42) TDP1
SCHEMBL9507424 0.83 DNM1 (0.42) TDP1
SCHEMBL9509848 0.83 DNM1 (0.42) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed