Hexane

Hexane

SCHEMBL29124909

CCCCCC.CCCCCC.CCCCCC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
THRB P10828 1/20 0.58
LMNA P02545 3/20 0.50
SLC22A1 O15245 3/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL27826796 1.00 TSHR (0.58) TSHRTHRBLMNASLC22A1SLC22A2
Decane SCHEMBL28102289 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL28681950 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Undecane SCHEMBL27865572 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Octane SCHEMBL27624 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Nonane SCHEMBL27865569 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL28458543 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Undecane SCHEMBL28453375 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Octane SCHEMBL27625 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1
Octane SCHEMBL8554735 0.96 TSHR (0.67) TSHRTHRBLMNASLC22A1DNM1

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-117242147-A Solvent-based Pressure Sensitive Adhesive (PSA) based debondable structures 汉高股份有限及两合公司 2023-12-15 CN claimed