Hexane

Hexane

SCHEMBL224276

C1CCOC1.CCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.44
EPHX1 P07099 1/20 0.39
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SLC22A1 O15245 2/20 0.35
SLC22A2 O15244 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC25A P30304 1/20 0.34

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 SCHEMBL22134480 1.00 ALDH1A1 (0.53) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL14895621 1.00 ALDH1A1 (0.53) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL5237862 1.00 ALDH1A1 (0.53) ALDH1A1TSHRLMNATHRBEPHX1
Heptane SCHEMBL538473 0.97 TSHR (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL28093142 0.97 ALDH1A1 (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Nonane SCHEMBL8960871 0.97 TSHR (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Octane SCHEMBL4626385 0.97 TSHR (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL7204589 0.97 ALDH1A1 (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL5304985 0.97 ALDH1A1 (0.50) ALDH1A1TSHRLMNATHRBEPHX1
Hexane SCHEMBL11154641 0.97 ALDH1A1 (0.50) ALDH1A1TSHRLMNATHRBEPHX1

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 1204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307522-A Preparation method of oxatinib mesylate 河北泽冀科技有限公司 2024-07-09 CN claimed
CN-118090939-A Method for measuring migration quantity of ultraviolet absorber in food contact material and product 宁波检验检疫科学技术研究院(宁波国检贸易便利化服务中心) 2024-05-28 CN claimed
CN-117903401-A Polyfluoro siloxane polyurethane, preparation method and application thereof, and marine protective coating 青岛理工大学 2024-04-19 CN claimed
CN-116041294-A Method for preparing hexahydrophthalide by phthalic anhydride or phthalic acid 中国科学院兰州化学物理研究所 2023-05-02 CN claimed
CN-112098543-B Method for measuring contents of various perfume compounds in sole material 深圳天祥质量技术服务有限公司 2022-07-22 CN claimed
CN-114436977-A Favipiravir multi-component medicine and preparation method and application thereof 山东大学 2022-05-06 CN claimed
CN-112546234-A Favipiravir medicinal conjugate and application thereof in preparation of antiviral medicinal preparation 山东大学 2021-03-26 CN claimed
CN-112098543-A Method for measuring contents of various perfume compounds in sole material 深圳天祥质量技术服务有限公司 2020-12-18 CN claimed
CN-104817583-B Carbon bridging bisamide base ytterbium and its preparation and the application in catalysis aldehyde and amine amide are combined to react 苏州大学 2019-03-12 CN claimed
CN-108794342-A Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof 武汉朗来科技发展有限公司 2018-11-13 CN claimed
US-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-01 US claimed
US-7485663-B2 Carvedilol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-03 US claimed
CN-101130522-A Novel method for synthesizing fungicide tebuconazole SHANGHAI SHENGNONG PESTICIDE C (CN) 2008-02-27 CN claimed
US-20040225132-A1 Carvedilol HILDESHEIM JEAN (IL) 2004-11-11 US claimed
US-6552209-B1 Such as reacting tantalum pentachloride with tertbutylamine and pyridine; stripping solvent and extracting into tetra-hydrofuran; adding extract to fresh in situ prepared lithium diethylamine solution; high yield and purity AIR PRODUCTS AND CHEMICALS, INC. 2003-04-22 US claimed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US claimed
EP-0643689-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER LAMBERT CO (US) 1998-12-30 EP claimed
EP-0643689-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1995-03-22 EP claimed
WO-1993007115-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1993-04-15 WO claimed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040225132-A1 Carvedilol REN, ADRB1, ADRB2 ALDH1A1 1694/4885TSHR 3165/4885LMNA 559/4885
US-20020143045-A1 Carvedilol REN, ADRB1, ADRB2 ALDH1A1 1694/4885TSHR 3165/4885LMNA 559/4885
US-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL GRHPR, ADH1C, ADH5 ALDH1A1 99/4885TSHR 290/4885LMNA 3535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.