Hexane

Hexane

SCHEMBL27835751

CC(C)CCCCCOP(=O)(O)O.CCCCCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 12/20 0.75
LPAR2 Q9HBW0 8/20 0.75
LPAR1 Q92633 6/20 0.75
SMPD1 P17405 3/20 0.53
LPAR5 Q9H1C0 1/20 0.53
FDPS P14324 3/20 0.48

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
SCHEMBL31278046 0.95 LPAR3 (0.68) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL31104703 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL29492995 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL30268607 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL1100940 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL346631 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL945571 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL506267 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL20875987 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL9659858 0.93 LPAR3 (0.61) LPAR3LPAR2LPAR1SMPD1LPAR5

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-102140148-B Preparation method of butyl rubber PETROCHINA CO LTD 2012-08-08 CN disclosed
CN-102140148-A Preparation method of butyl rubber PETROCHINA CO LTD 2011-08-03 CN disclosed