Hexane

Hexane

SCHEMBL1972103

CCCCCC.CN(C)C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
THRB P10828 1/20 0.64
DNM1 Q05193 7/20 0.56
LMNA P02545 3/20 0.55
SLC22A1 O15245 3/20 0.47
SLC22A2 O15244 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL5792569 1.00 TSHR (0.64) TSHRTHRBDNM1LMNASLC22A1
Trimethylammonium SCHEMBL18106783 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Octane SCHEMBL28596371 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Hexane SCHEMBL27802391 0.95 DNM1 (0.59) TSHRTHRBDNM1LMNASLC22A1
Hexadecane SCHEMBL738410 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Dodecane SCHEMBL4314349 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Decane SCHEMBL738409 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Decane SCHEMBL28596369 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Octane SCHEMBL639577 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1
Trimethylammonium SCHEMBL28327030 0.95 TSHR (0.73) TSHRTHRBDNM1LMNASLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104312450-A Alumite stamp gum for UV substrate and preparation method thereof SHANGHAI WEIKAI OPTOELECTRONIC NEW MATERIALS CO LTD 2015-01-28 CN claimed
CN-102816296-A Preparation method of modified epoxy acrylate and photo-thermal dual-curing paint CARPOLY CHEMICAL GROUP CO LTD 2012-12-12 CN claimed
CN-101280050-B Method for preparing waterborne polyurethane from reproducible polylol INST CHEM IND FOREST PROD CAF 2010-11-10 CN claimed
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP claimed
CN-117736434-A PH responsive water-soluble N-sulfonylamidine polypeptide library, preparation method and application of N-sulfonylamidine in conformational regulation 大连理工常熟研究院有限公司 2024-03-22 CN disclosed
CN-104312450-A Alumite stamp gum for UV substrate and preparation method thereof SHANGHAI WEIKAI OPTOELECTRONIC NEW MATERIALS CO LTD 2015-01-28 CN disclosed
CN-103108908-B Method of forming polymer nanocomposites BAKER HUGHES INC 2014-07-23 CN disclosed
CN-103108908-A Method of forming polymer nanocomposites BAKER HUGHES INC 2013-05-15 CN disclosed
CN-103068927-A Polymer nanocomposite BAKER HUGHES INC 2013-04-24 CN disclosed
CN-102816296-A Preparation method of modified epoxy acrylate and photo-thermal dual-curing paint CARPOLY CHEMICAL GROUP CO LTD 2012-12-12 CN disclosed
EP-1687241-B1 USE OF EUO STRUCTURAL ZEOLITE CONTAINING AN HEXYLQUINUCLIDINIUM STRUCTURING AS CATALYST INST FRANCAIS DU PETROLE (FR) 2012-05-02 EP disclosed
US-8038982-B2 EUO-structural-type zeolite containing the alkyl quinuclidinium structuring agent, process for preparation and use as catalyst IFP Energies Nouvelles (FR) 2011-10-18 US disclosed
EP-1151963-A1 EUO-type zeolite with reduced SI/AL ratio and its use as a catalyst for the isomerization of C8 fractions INSTITUT FRANCAIS DU PETROLE (FR) 2001-11-07 EP disclosed
CN-1313367-A Coating composition cured at atmosphere KANSAI PAINTS CO LTD (JP) 2001-09-19 CN disclosed
CN-1196746-A Pollutant deposition inhibitor and coating material composition DAIKIN IND LTD (JP) 1998-10-21 CN disclosed
CN-1107278-A Photosensitive resin composition for corrugated board printing plate ASAHI CHEMICAL IND (JP) 1995-08-23 CN disclosed
CN-1098963-A Parafine alkylation catalyst INST FRANCAIS DU PETROLE (FR) 1995-02-22 CN disclosed
CN-1064692-A The production technique of using coating is used and/or is decorated in a kind of overbrushing layer protection BASF LACKE & FARBEN (DE) 1992-09-23 CN disclosed
CN-1040386-A Universal household tackiness agent based on urethane HENKEL KGAA (DE) 1990-03-14 CN disclosed
US-3940384-A GELLING AGENT ANHEUSER-BUSCH, INCORPORATED (US) 1976-02-24 US disclosed