SCHEMBL9154017

SCHEMBL9154017

CC(C)C(=O)OCC(C)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 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
SCHEMBL16480677 0.82 ALOX15 (0.36) TSHRALOX15
SCHEMBL2730271 0.80 TP53 (0.35) TSHRMAPT
SCHEMBL9152182 0.80 TDP1 (0.43) TSHRALOX15MAPT
SCHEMBL1498188 0.79 MAPT (0.47) TSHRMAPT
SCHEMBL2735481 0.79 LMNA (0.35) TSHRMAPT
SCHEMBL9911693 0.79 TSHR (0.34) TSHRMAPT
SCHEMBL16254948 0.78 MAPT (0.32) TSHRALOX15MAPT
SCHEMBL4671992 0.78 MAPK1 (0.32) ALOX15
Isopropyl Alcohol SCHEMBL28680436 0.77 TSHR (0.48) TSHRMAPT
SCHEMBL9153618 0.76 MAPT (0.41) TSHRALOX15MAPT

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