Hexane

Hexane

SCHEMBL5195484

CCCCCC.O=C(Cl)c1cccc(C(=O)Cl)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.45
NAAA Q02083 1/20 0.44
SMPD1 P17405 3/20 0.44
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PLA2G4B P0C869 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
SCHEMBL28264697 0.93 SMN1; SMN2 (0.49) SMN1; SMN2CES2CES1ALDH1A1TSHR
Hexane SCHEMBL29096153 0.87 CES2 (0.46) SMN1; SMN2CES2CES1ALDH1A1TSHR
Hexane SCHEMBL15578091 0.87 ALDH1A1 (0.46) SMN1; SMN2CES2CES1ALDH1A1TSHR
SCHEMBL8102327 0.86 LPL (0.53) THRB
Benzoyl Chloride SCHEMBL27691168 0.85 CES2 (0.58) CES2CES1ALDH1A1TSHRNAAA
Heptane SCHEMBL28388769 0.85 ALDH1A1 (0.50) SMN1; SMN2CES2CES1ALDH1A1TSHR
Octane SCHEMBL29136412 0.85 ALDH1A1 (0.50) SMN1; SMN2CES2CES1ALDH1A1TSHR
Decane SCHEMBL28535640 0.85 ALDH1A1 (0.50) SMN1; SMN2CES2CES1ALDH1A1TSHR
SCHEMBL8087274 0.84 LPL (0.54) THRB
SCHEMBL8094372 0.84 LPL (0.54) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113908694-A Enhanced nano composite forward osmosis membrane and preparation method and application thereof 中国科学院重庆绿色智能技术研究院 2022-01-11 CN disclosed
CN-109603563-B Preparation method of zinc coordination organic nanoparticle hybrid polyamide membrane 浙江工业大学 2021-10-01 CN disclosed
CN-109550406-B Preparation method of amphoteric particle in-situ constructed metal organic framework separation membrane 浙江工业大学 2021-06-11 CN disclosed
CN-111603938-A Loose nanofiltration membrane, and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2020-09-01 CN disclosed
US-8497343-B2 Polyarylate compositions and articles therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-07-30 US disclosed
CN-101151295-B Polyarylate compositions and articles made therefrom SABIC INNOVATIVE PLASTICS IP 2012-08-15 CN disclosed
CN-101151295-A Polyarylate compositions and articles made therefrom GEN ELECTRIC (US) 2008-03-26 CN disclosed
EP-1869099-A2 POLYARYLATE COMPOSITIONS AND ARTICLES THEREFROM General Electric Company (US) 2007-12-26 EP disclosed
WO-2006107940-A2 POLYARYLATE COMPOSITIONS AND ARTICLES THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-10-12 WO disclosed
US-20060229428-A1 Polyarylate compositions and articles therefrom GENERAL ELECTRIC COMPANY 2006-10-12 US disclosed
CN-1215745-C Wiring board and making method thereof NITTO DENKO CORP (JP) 2005-08-17 CN disclosed
CN-1386045-A Wiring board and making method thereof NITTO DENKO CORP (JP) 2002-12-18 CN disclosed
US-4387024-A AMINE POLYMER, POLYAMINE MONOMER TORAY INDUSTRIES, INC. (JP) 1983-06-07 US disclosed