SCHEMBL29300091

SCHEMBL29300091

CC(F)(F)CCCOCCOCCCC(C)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL29300113 0.87 TSHR (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL29300114 0.85 CES2 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL18503155 0.84 HRH3 (0.40) HRH3MEN1THRBHTTKMT2A
SCHEMBL18503203 0.84 HRH3 (0.40) HRH3MEN1THRBHTTKMT2A
SCHEMBL5978873 0.82
SCHEMBL18503282 0.80 HRH3 (0.41) HRH3MEN1THRBHTTKMT2A
SCHEMBL25363544 0.79
SCHEMBL28302042 0.79 CES2 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL18503201 0.79 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A
SCHEMBL18503244 0.79 HRH3 (0.38) HRH3MEN1THRBHTTKMT2A

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-2024145810-A1 ELECTROLYTE SOLUTION, SECONDARY BATTERY COMPRISING SAME, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-07-11 WO disclosed