Butane

Butane

SCHEMBL9544063

CCCC.CCOC(C)OCC.O=CCCCCBr

nearest known ligand 0.43

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
HIF1A Q16665 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
SCHEMBL9657661 0.96 LMNA (0.46) LMNATSHRFAAHTRPV1ALDH1A1
Butane SCHEMBL8184201 0.87 LMNA (0.48) LMNATSHRALDH1A1
Hexanal SCHEMBL10352184 0.85 TSHR (0.60) LMNATSHRFAAHTRPV1ALDH1A1
Decanal SCHEMBL6949312 0.83 TSHR (0.64) LMNATSHRFAAHTRPV1ALDH1A1
Decanal SCHEMBL598213 0.83 TSHR (0.64) LMNATSHRFAAHTRPV1ALDH1A1
Decanal SCHEMBL597465 0.83 TSHR (0.64) LMNATSHRFAAHTRPV1ALDH1A1
Heptanal SCHEMBL1664616 0.83 TSHR (0.64) LMNATSHRFAAHTRPV1ALDH1A1
SCHEMBL7344731 0.83 LMNA (0.52) LMNATSHRALDH1A1
Pentanal SCHEMBL9295530 0.83 TSHR (0.61) LMNATSHRFAAHTRPV1ALDH1A1
Glutaral SCHEMBL7174412 0.82 LMNA (0.57) LMNATSHRFAAHTRPV1ALDH1A1

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
WO-1993008195-A1 CYCLIC PEROXYACETAL COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 1993-04-29 WO disclosed