SCHEMBL9936682

SCHEMBL9936682

COCCCOC(=O)C(C)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.31
ATM Q13315 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
SCHEMBL9938110 0.86 TSHR (0.41) ALDH1A1TSHR
SCHEMBL9937040 0.84 ALDH1A1 (0.40) ALDH1A1TSHRRECQLKMT2AATM
SCHEMBL2234289 0.82 ALDH1A1 (0.41) ALDH1A1TSHRRECQLHPGDKMT2A
SCHEMBL379376 0.80 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATM
SCHEMBL9936957 0.79 TSHR (0.42) ALDH1A1TSHRHPGDATM
SCHEMBL23819235 0.78 ALDH1A1 (0.39) ALDH1A1TSHRRECQLHPGDKMT2A
SCHEMBL29669618 0.78 NAAA (0.52) ALDH1A1TSHRATM
SCHEMBL25981461 0.78 CHRNB2 (0.34) ALDH1A1ATM
SCHEMBL20991538 0.78 ALDH1A1 (0.39) ALDH1A1TSHRRECQLHPGDKMT2A
SCHEMBL28841757 0.78 ALDH1A1 (0.39) ALDH1A1TSHRRECQLHPGDKMT2A

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