Butane

Butane

SCHEMBL9015750

CCC.CCC.CCCC

nearest known ligand 0.44

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.33
SLC22A1 O15245 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL3125984 1.00 TSHR (0.44) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL13278079 1.00 TSHR (0.44) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL110819 1.00
Butane SCHEMBL11581140 0.93 TSHR (0.40) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL11580383 0.93 TSHR (0.40) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL11121291 0.93
Butane SCHEMBL5699183 0.93
Butane SCHEMBL11579268 0.93 TSHR (0.40) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL11582694 0.93 TSHR (0.40) TSHRLMNATHRBALDH1A1SLC22A1
Butane SCHEMBL11580428 0.93 TSHR (0.40) TSHRLMNATHRBALDH1A1SLC22A1

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-5501722-A POLYTRIMETHYLSILYLPROPYNE MEMBRANE TECHNOLOGY AND RESEARCH, INC. (US) 1996-03-26 US disclosed
US-5281255-A Glassy polymer membrane, acetylenic polymer, dioxole polymer MEMBRANE TECHNOLOGY AND RESEARCH, INC (US) 1994-01-25 US disclosed