SCHEMBL6423326

SCHEMBL6423326

CC(O)C(O)Cc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 7/20 0.42
MAOB P27338 1/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
Acrylic Acid SCHEMBL9562332 0.86 RAB9A (0.40) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL5438406 0.83
SCHEMBL1687251 0.83
SCHEMBL30934914 0.80 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1MAOBHPGD
SCHEMBL32667970 0.79
SCHEMBL105226 0.79
Furfuryl Alcohol SCHEMBL29281057 0.78 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL28626492 0.77 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1MAOBHPGD
SCHEMBL5523669 0.77 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1MAOBHPGD
SCHEMBL28510962 0.76 MAOB (0.43) RAB9ANPC1ALDH1A1MAOBCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823744-B1 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI CHEMICALS INC (JP) 2005-10-12 EP disclosed
US-5925283-A HIGH IONIC CONDUCTIVITY AND HIGH SOLID STRENGTH; CROSSLINKED POLYMER MATRIX, ELECTROLYTIC SALT, AND A NONAQUEOUS ELECTROLYTIC SOLUTION WHICH CONTAINS AT LEAST ONE HALOGEN-SUBSTITUTED CARBONIC ESTER MITSUI CHEMICALS, INC. (JP) 1999-07-20 US disclosed
EP-0823744-A2 Ionically conductive polymeric gel electrolyte and solid battery containing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-02-11 EP disclosed