SCHEMBL9094442

SCHEMBL9094442

OC[C@H]1O[C@H](Oc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9096127 0.85 TSHR (0.38) TSHRCYP2C19
SCHEMBL7641953 0.85 TSHR (0.38) TSHRCYP2C19
SCHEMBL2785293 0.80 ALDH1A1 (0.32) TSHRCYP2C19
SCHEMBL9094336 0.80 ALDH1A1 (0.32) TSHRCYP2C19
SCHEMBL7566181 0.79 MEN1 (0.32)
SCHEMBL5991404 0.76 MEN1 (0.32)
SCHEMBL7247702 0.73 GRIN2D (0.30)
SCHEMBL7247699 0.73 GRIN2D (0.30)
SCHEMBL7563853 0.72 ALDH1A1 (0.33) TSHR
SCHEMBL9620579 0.71 TSHR (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed