Hexane

Hexane

SCHEMBL9853221

CCCCCC.CCCC[Si](OC)(OC)OC

nearest known ligand 0.61

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.39
EPHX1 P07099 1/20 0.34
SLC22A1 O15245 2/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LPAR2 Q9HBW0 3/20 0.31
LPAR3 Q9UBY5 3/20 0.31
ALDH1A1 P00352 3/20 0.30
DNM1 Q05193 3/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL56908 0.97 LMNA (0.58) LMNATSHRTHRBEPHX1
SCHEMBL28292827 0.95 LMNA (0.63) LMNATSHRTHRBEPHX1SLC22A1
Hydrochloric Acid SCHEMBL3921975 0.94 LMNA (0.56) LMNATSHRTHRBEPHX1
Fluoride SCHEMBL27440512 0.94 LMNA (0.56) LMNATSHRTHRBEPHX1
Water SCHEMBL27547819 0.94 LMNA (0.56) LMNATSHRTHRBEPHX1
SCHEMBL114753 0.94 LMNA (0.61) LMNATSHRTHRBEPHX1SLC22A1
Ammonia Solution, Strong SCHEMBL8489442 0.94 LMNA (0.56) LMNATSHRTHRBEPHX1
Hydrogen Sulfide SCHEMBL28072106 0.94 LMNA (0.61) LMNATSHRTHRBEPHX1SLC22A1
Hexane SCHEMBL6049081 0.92 LMNA (0.65) LMNATSHRTHRBEPHX1SLC22A1
SCHEMBL6756329 0.92 LMNA (0.65) LMNATSHRTHRBEPHX1SLC22A1

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-0410443-A1 Organosilane compounds MONTELL NORTH AMERICA INC. (US) 1991-01-30 EP disclosed