SCHEMBL9679147

SCHEMBL9679147

COCC(C)OCC(C)OCC(C)OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
GLA P06280 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
SCHEMBL996341 0.96 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL997848 0.85 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19410597 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1095965 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL14865749 0.85 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19410608 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19410575 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL475462 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17358693 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1094765 0.85 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
US-5169921-A Composing branched propylene/1,2-/ segment of polyol for flexibility and adhesion at low temperature DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1992-12-08 US disclosed
EP-0498370-A2 Polyurethane type curable coating composition DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1992-08-12 EP disclosed