SCHEMBL9730554

SCHEMBL9730554

CCCC(C)COC(C)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9730393 0.78 TSHR (0.39) TSHRHSD17B10TDP1
SCHEMBL10593455 0.78 TSHR (0.50) TSHR
SCHEMBL4177910 0.76 TSHR (0.41) TSHRHSD17B10TDP1
SCHEMBL15247826 0.75 TSHR (0.43) TSHR
SCHEMBL9731456 0.75 CHRM1 (0.40) TSHRTDP1
SCHEMBL12650566 0.75
SCHEMBL623825 0.75
SCHEMBL9507387 0.74 TDP1 (0.42) TSHRHSD17B10TDP1
SCHEMBL10593115 0.74 TSHR (0.45) TSHR
SCHEMBL27858224 0.72 SPHK1 (0.39) 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
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed