Hexane

Hexane

SCHEMBL28835345

CC(Cl)Cl.CCCCCC.ClCCCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.44
OPRM1 P35372 1/20 0.41
LMNA P02545 1/20 0.38
DNM1 Q05193 3/20 0.36
TRPM8 Q7Z2W7 5/20 0.36
SLC22A1 O15245 2/20 0.35
SLC22A2 O15244 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G1B P04054 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAD52 P43351 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL28113334 0.90 TSHR (0.71) TSHRALDH1A1TDP1THRBOPRM1
Hexane SCHEMBL2911057 0.89 TSHR (0.54) TSHRALDH1A1TDP1THRBOPRM1
Butyl Chloride SCHEMBL11342425 0.87
SCHEMBL28162033 0.87 TSHR (0.75) TSHRALDH1A1TDP1THRBOPRM1
Heptane SCHEMBL11155553 0.86 TSHR (0.61) TSHRALDH1A1THRBOPRM1LMNA
Hexane SCHEMBL28579709 0.86 TSHR (0.58) TSHRALDH1A1TDP1THRBOPRM1
Hexane SCHEMBL9660285 0.86 TSHR (0.71) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL420466 0.86 TSHR (0.71) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL7485280 0.83 TSHR (0.47) TSHRALDH1A1TDP1THRBOPRM1
Hexane SCHEMBL9567872 0.83 TSHR (0.47) TSHRALDH1A1TDP1THRBOPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980454-B Crosslinked product, process for producing the same, use thereof, and ethylene copolymer 三井化学株式会社 2019-07-19 CN disclosed
CN-104085160-B Polyolefin cosmetic sheet 三井化学株式会社 2018-08-24 CN disclosed
CN-104045912-B Propylene resin composition and application thereof 三井化学株式会社 2017-06-23 CN disclosed
CN-104086900-B Propylene resin composition and application thereof 三井化学株式会社 2016-10-26 CN disclosed