Hexane

Hexane

SCHEMBL11540872

CCCCCC.OP(O)(O)=S.OP(O)(O)=S.[Zn]

nearest known ligand 0.52

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.52
LPAR2 Q9HBW0 7/20 0.52
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FDPS P14324 2/20 0.42
LPAR1 Q92633 3/20 0.41

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
Hexane SCHEMBL345960 1.00 LPAR3 (0.52) LPAR3LPAR2TSHRTHRBSMN1; SMN2
Octane SCHEMBL11538781 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Hexane SCHEMBL2136473 0.97 LPAR3 (0.50) LPAR3LPAR2TSHRTHRBSMN1; SMN2
Hexadecane SCHEMBL346740 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Hexane SCHEMBL11145233 0.97 LPAR3 (0.50) LPAR3LPAR2TSHRTHRBSMN1; SMN2
Nonane SCHEMBL163989 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Tridecane SCHEMBL346366 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Dodecane SCHEMBL20855474 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Undecane SCHEMBL21044746 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA
Tetradecane SCHEMBL345933 0.97 LPAR3 (0.56) LPAR3LPAR2TSHRTHRBLMNA

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-4171558-A Cutting oil composition for processing cemented carbide skiving hob IDEMITSU KOSAN CO., LTD. (JP) 1979-10-23 US claimed
US-4171558-A Cutting oil composition for processing cemented carbide skiving hob IDEMITSU KOSAN CO., LTD. (JP) 1979-10-23 US disclosed