SCHEMBL9508649

SCHEMBL9508649

CC(C)COC(C)CCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9507387 0.78 TDP1 (0.42) TDP1TSHRHSD17B10
SCHEMBL712244 0.77 TSHR (0.33) TDP1TSHR
SCHEMBL9507526 0.77 LMNA (0.41) TDP1TSHRHSD17B10
SCHEMBL9507551 0.75 GABRR1 (0.46) TSHR
SCHEMBL17103149 0.74 TDP1 (0.37) TDP1TSHR
SCHEMBL9507992 0.73 TDP1 (0.47) TDP1TSHRHSD17B10
SCHEMBL9508008 0.73 TDP1 (0.47) TDP1TSHRHSD17B10
SCHEMBL8391098 0.73 TDP1 (0.35) TDP1TSHRHSD17B10
SCHEMBL9511111 0.73 TDP1 (0.47) TDP1TSHRHSD17B10
SCHEMBL11438635 0.73 MAPK1 (0.38) TDP1MAPK1TSHRHSD17B10

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