SCHEMBL9153397

SCHEMBL9153397

CCCC(C)COCC(C)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19643118 0.83 TSHR (0.48) TSHRHSD17B10TDP1EPHX2
SCHEMBL9679319 0.83 TSHR (0.48) TSHRHSD17B10TDP1EPHX2
SCHEMBL10632086 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
Calcium SCHEMBL10786902 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
Lithium SCHEMBL8617111 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
Magnesium SCHEMBL8460788 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
Potassium SCHEMBL10629925 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
SCHEMBL10789496 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
Barium SCHEMBL10787198 0.81 TSHR (0.46) TSHRHSD17B10EPHX2
SCHEMBL11269945 0.81 HSD17B10 (0.38) TSHRHSD17B10TDP1KDM4E

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-0351782-B1 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI LTD (JP) 1995-01-04 EP disclosed
US-5328643-A Electrooptic display, switches, modulators; physical and chemical stability and spontaneous polarization TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
EP-0351782-A2 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI, LTD. (JP) 1990-01-24 EP disclosed