Hexane

Hexane

SCHEMBL8891406

C=CCC.CCCCCC

nearest known ligand 0.61

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
ALDH1A1 P00352 3/20 0.59
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.43
FAAH O00519 1/20 0.39
SLC22A1 O15245 2/20 0.39
SLC22A2 O15244 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
DNM1 Q05193 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL11580709 0.96 TSHR (0.58) TSHRALDH1A1THRBLMNAFAAH
Octane SCHEMBL11684722 0.96 TSHR (0.67) TSHRALDH1A1THRBLMNAFAAH
SCHEMBL8467311 0.85 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL27601352 0.85 TSHR (0.63) TSHRALDH1A1THRBLMNAFAAH
SCHEMBL3405255 0.85 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL9389533 0.85 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
SCHEMBL8470469 0.85 TSHR (0.89) TSHRALDH1A1THRBFAAHDNM1
Butane SCHEMBL9121988 0.84
Butane SCHEMBL15477016 0.84 TSHR (0.53) TSHRALDH1A1
SCHEMBL5606390 0.83

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028960-A2 HEAT SEALABLE, PEELABLE FILM AND METHOD OF MAKING SAME TREDEGAR INDUSTRIES, INC. (US) 1997-08-14 WO claimed
CN-117430751-A Trans-polycyclopentene polymerization catalyst system and preparation and application of trans-polycyclopentene 中国石油天然气股份有限公司 2024-01-23 CN disclosed
WO-1997028960-A2 HEAT SEALABLE, PEELABLE FILM AND METHOD OF MAKING SAME TREDEGAR INDUSTRIES, INC. (US) 1997-08-14 WO disclosed