Butane

Butane

SCHEMBL4668346

CCCC.CCCCC(C)C

nearest known ligand 0.47

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
DNM1 Q05193 2/20 0.45
OPRM1 P35372 1/20 0.43
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 1/20 0.38
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL10013141 0.96 LMNA (0.50) LMNADNM1OPRM1TSHRALDH1A1
SCHEMBL38853 0.96
Hydrochloric Acid SCHEMBL28967111 0.93
Water SCHEMBL2387761 0.93
Methane SCHEMBL28266921 0.93
Pentane SCHEMBL11404554 0.93 TSHR (0.50) LMNADNM1OPRM1TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL8076786 0.93
SCHEMBL8037931 0.93
Water SCHEMBL22688976 0.93
Hydrogen Sulfide SCHEMBL5675311 0.93

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
EP-1944063-A2 Cosmetic composition comprising a cationic polymer and an anionic polymer with a water-resistant chain L'Oreal (FR) 2008-07-16 EP disclosed