Hexane

Hexane

SCHEMBL9775499

CCCCCC.NN.NN

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
THRB P10828 1/20 0.70
LMNA P02545 1/20 0.60
DNM1 Q05193 9/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EPHX1 P07099 1/20 0.57
SLC22A1 O15245 2/20 0.50
SLC22A2 O15244 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.47

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 SCHEMBL17627265 1.00
Undecane SCHEMBL27967066 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Octane SCHEMBL28840357 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL27491275 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Pentadecane SCHEMBL28191661 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Hydrazine SCHEMBL28853955 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Dodecane SCHEMBL27634207 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Hexadecane SCHEMBL28072158 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Hydrazine SCHEMBL27490937 0.95 TSHR (0.80) TSHRTHRBLMNADNM1ALDH1A1
Heptane SCHEMBL27585644 0.95

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
US-5032506-A Color control system ENZYMATICS, INC. (US) 1991-07-16 US claimed