SCHEMBL28044375

SCHEMBL28044375

C(OCC1CO1)C1CO1.CCCC(O)O.NON

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40

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
Methylamine SCHEMBL28321012 0.95 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL18110 0.94 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL29133266 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28240724 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
1,4-Butanediol SCHEMBL8975571 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7136106 0.86 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28298944 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL8975577 0.84 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20595266 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL37927 0.82 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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-105283483-A Bisphenol-free type A polyether resins based on phenol stearic acid and coating compositions formed therefrom AKZO NOBEL COATINGS INT BV 2016-01-27 CN disclosed
CN-105283477-A Acrylic grafted polyether resins based on phenol stearic acid and coating compositions formed therefrom AKZO NOBEL COATINGS INT BV 2016-01-27 CN disclosed