SCHEMBL8512429

SCHEMBL8512429

C/C(=C\CC1CO1)C(=O)O.C/C=C(\C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CD81 P60033 1/20 0.33
GRIK2 Q13002 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
PPARG P37231 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
SCHEMBL29832859 1.00 ALDH1A1 (0.37) ALDH1A1CD81GRIK2TP53CYP3A4
Ethylene SCHEMBL8007277 0.96 ALDH1A1 (0.39) ALDH1A1CD81
Ethylene SCHEMBL8007273 0.96 ALDH1A1 (0.39) ALDH1A1CD81
SCHEMBL30609972 0.94 ALDH1A1 (0.40) ALDH1A1CD81GRIK2TP53CYP3A4
SCHEMBL29640472 0.94 ALDH1A1 (0.40) ALDH1A1CD81GRIK2TP53CYP3A4
SCHEMBL5179069 0.94 ALDH1A1 (0.40) ALDH1A1CD81GRIK2TP53CYP3A4
SCHEMBL28302 0.94 ALDH1A1 (0.40) ALDH1A1CD81GRIK2TP53CYP3A4
SCHEMBL20082 0.94 ALDH1A1 (0.40) ALDH1A1CD81GRIK2TP53CYP3A4
SCHEMBL28187781 0.93 ALDH1A1 (0.37) ALDH1A1CD81GRIK2TP53CYP3A4
Bicarbonate SCHEMBL20401648 0.92 ALDH1A1 (0.39) ALDH1A1CD81GRIK2TP53CYP3A4

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-2643134-A1 FRAME FOR AN ELECTROCHEMICAL ENERGY-STORAGE UNIT Behr GmbH & Co. KG (DE) 2013-10-02 EP disclosed
WO-2012069561-A1 FRAME FOR AN ELECTROCHEMICAL ENERGY-STORAGE UNIT BEHR GMBH & CO. KG (DE) 2012-05-31 WO disclosed