SCHEMBL9937323

SCHEMBL9937323

CCOCCCOC(=O)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 5/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9936848 0.87 ALDH1A1 (0.58) ALDH1A1TSHRTHRBACHE
SCHEMBL9936957 0.86 TSHR (0.42) ALDH1A1TSHRTHRBHPGDHTT
SCHEMBL1901419 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHPGDACHEATM
SCHEMBL23817222 0.79 TSHR (0.44) ALDH1A1TSHRTHRBHPGDHTT
SCHEMBL9937021 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTHRBHTTRAB9A
SCHEMBL9937040 0.78 ALDH1A1 (0.40) ALDH1A1TSHRACHEATM
SCHEMBL5537729 0.78 NAAA (0.54) ALDH1A1TSHRACHEATM
SCHEMBL1469351 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTHRBHPGDHTT
SCHEMBL2256263 0.78 TSHR (0.42) ALDH1A1TSHRTHRBHPGDHTT
SCHEMBL1471524 0.77 TSHR (0.49) ALDH1A1TSHRTHRBHPGDHTT

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
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed