Hexane

Hexane

SCHEMBL27809278

CCC(S)[Si](OC)(OC)OC.CCCCCC

nearest known ligand 0.33

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 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
SCHEMBL284612 0.90
SCHEMBL28235810 0.90
SCHEMBL22837 0.90
Methyl Alcohol SCHEMBL28295123 0.85
SCHEMBL11782582 0.84 OPRM1 (0.36) TSHRTHRBLMNA
Alcohol SCHEMBL28287486 0.83 ALDH1A1 (0.30) TSHR
SCHEMBL989249 0.82 ZDHHC7 (0.37) TSHRTHRBLMNA
SCHEMBL10324721 0.82 ZDHHC7 (0.37) TSHRTHRBLMNA
SCHEMBL28505438 0.82 ZDHHC7 (0.37) TSHRTHRBLMNA
SCHEMBL20576622 0.82 ZDHHC7 (0.37) TSHRTHRBLMNA

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
CN-102061479-A Method for preparing anticorrosion multilayer organic composite film on aluminum surface LANZHOU CHEM PHYS INST 2011-05-18 CN disclosed