Hexane

Hexane

SCHEMBL11526508

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCC(Cl)C(Cl)Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL11212380 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL27935678 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL27908062 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL25428162 0.88
SCHEMBL28244728 0.88 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL28143315 0.81 OPRM1 (0.46) TSHRTHRBLMNADNM1OPRM1
SCHEMBL11805709 0.79 OPRM1 (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL7872850 0.79 LMNA (0.41) TSHRTHRBLMNADNM1OPRM1
SCHEMBL4521414 0.79 OPRM1 (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL7863878 0.79 LMNA (0.41) TSHRTHRBLMNADNM1OPRM1

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-4158726-A HIGH MOLECULAR WEIGHT, WATER-SOLUBLE CATIONIC ACRYLIC OR METHACRYLIC ESTER POLYMERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-06-19 US disclosed