Hexane

Hexane

SCHEMBL5603076

C(OCC1CO1)C1CO1.CCCCCC.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ENPP2 Q13822 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
PDK1 Q15118 1/20 0.33

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
SCHEMBL16296603 0.89 TSHR (0.50) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8430857 0.84 ALDH1A1 (0.66) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8429870 0.84 ALDH1A1 (0.66) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL22394611 0.84 TSHR (0.53) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL1537333 0.84 TSHR (0.57) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Lindane SCHEMBL4157703 0.83 TSHR (0.44) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL1004395 0.82 TSHR (0.55) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL8429868 0.82 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL7518576 0.82 SMN1; SMN2 (0.51) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
Hexane SCHEMBL4654966 0.82 ALDH1A1 (0.70) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed