Hexane

Hexane

SCHEMBL5583931

CCCCCC.O=P(O)(O)CCCCP(=O)(O)O

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 3/20 0.94
▸ LPAR2 Q9HBW0 1/20 0.94
▸ S1PR2 O95136 11/20 0.64
▸ S1PR1 P21453 11/20 0.64
▸ S1PR3 Q99500 11/20 0.64
▸ S1PR4 O95977 9/20 0.64
▸ S1PR5 Q9H228 2/20 0.64
▸ TYMS P04818 1/20 0.61
▸ FDPS P14324 2/20 0.54

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
SCHEMBL11730 1.00 — —
Hydrochloric Acid SCHEMBL1777042 0.97 LPAR3 (0.90) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL17626430 0.97 LPAR3 (0.90) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL2539502 0.97 LPAR3 (0.90) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL22722948 0.97 LPAR3 (1.00) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL23534144 0.97 LPAR3 (1.00) LPAR3LPAR2S1PR2S1PR1S1PR3
Ammonia Solution, Strong SCHEMBL2540898 0.97 LPAR3 (0.90) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL1235052 0.97 LPAR3 (1.00) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL338097 0.97 LPAR3 (1.00) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9501947 0.97 LPAR3 (1.00) LPAR3LPAR2S1PR2S1PR1S1PR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070045189-A1 Acid mine water demineralization methods GENERAL ELECTRIC COMPANY (US) 2007-03-01 — — US disclosed
Send feedback