SCHEMBL8512431

SCHEMBL8512431

C=C(CC)C(=O)O.C=C(CCC1CO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL20081 0.91 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3363683 0.91 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4537923 0.91 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1515004 0.89 ALDH1A1 (0.38) ALDH1A1
Acetic Acid SCHEMBL4871178 0.89 ALDH1A1 (0.42) ALDH1A1
Ethylene SCHEMBL5031590 0.89 ALDH1A1 (0.36) ALDH1A1
Methacrylic Acid SCHEMBL3621202 0.87 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9334006 0.87 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8007275 0.86 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1514917 0.85 ALDH1A1 (0.47) ALDH1A1

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