SCHEMBL2943528

SCHEMBL2943528

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL27729081 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL56720 0.78
Alcohol SCHEMBL4292742 0.76 FFAR3 (0.36) ALDH1A1CYP1A2
Propionic Acid SCHEMBL11599557 0.76 FFAR3 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
Lactic Acid SCHEMBL11599191 0.75 TP53 (0.48) ALDH1A1
Glycolic Acid SCHEMBL8987465 0.74 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6660881 0.74 TDP1 (0.36) ALDH1A1
SCHEMBL8072263 0.73 FFAR1 (0.32) ALDH1A1
SCHEMBL8086813 0.73 GABRP (0.41) CYP1A2
Ether SCHEMBL11544644 0.72 GLA (0.34) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
CN-101228000-B Water-soluble preflux and use thereof SHIKOKU CHEM 2010-06-09 CN disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
CN-101228000-A Water-soluble preflux and use thereof SHIKOKU CHEM (JP) 2008-07-23 CN disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 EP disclosed