Butane

Butane

SCHEMBL6695660

CCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.39

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.39
LPAR2 Q9HBW0 6/20 0.39
ALPG P10696 1/20 0.37
FDPS P14324 4/20 0.33
LPAR1 Q92633 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
Butane SCHEMBL6694338 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL1974643 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL6695989 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL1971494 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL1974382 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL1050807 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL1974661 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL346484 1.00 LPAR3 (0.39) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL7936125 0.96 LPAR3 (0.38) LPAR3LPAR2ALPGFDPSLPAR1
Butane SCHEMBL7763104 0.96 LPAR3 (0.38) LPAR3LPAR2ALPGFDPSLPAR1

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-20040204325-A1 Transmission fluid compositions for automobiles NIPPON OIL CORPORATION 2004-10-14 US disclosed
US-20040192562-A1 Lubricating oil composition NIPPON OIL CORPORATION 2004-09-30 US disclosed