SCHEMBL784046

SCHEMBL784046

CCCOC(OCCC)(OCCC)OC(=O)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.31
ACHE P22303 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL783608 0.83 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL783576 0.74 ALDH1A1 (0.39) ALDH1A1LMNACES2HCAR2
SCHEMBL784817 0.73 CES2 (0.36) ALDH1A1CES2
SCHEMBL6588379 0.73
SCHEMBL783759 0.72 NAAA (0.39) ALDH1A1LMNA
SCHEMBL783518 0.72
SCHEMBL784176 0.71 ALDH1A1 (0.46) ALDH1A1LMNACES2
SCHEMBL13686618 0.69 LMNA (0.38) ALDH1A1LMNACES2
SCHEMBL783983 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4188617 0.67 CA1 (0.30)

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
CN-102412416-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-04-11 CN disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed