Heptane

Heptane

SCHEMBL3480859

CCCCCCC.c1ccsc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39

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
Decane SCHEMBL18601630 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Hexadecane SCHEMBL18601631 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Nonane SCHEMBL27661219 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Dodecane SCHEMBL789546 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Octane SCHEMBL1276485 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Tridecane SCHEMBL23248609 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Thiophene SCHEMBL27651715 1.00 TSHR (0.50) TSHRTHRBABCB11ESR1PGR
Heptane SCHEMBL27900538 0.97 TSHR (0.47) TSHRTHRBABCB11ESR1PGR
Hexane SCHEMBL3859675 0.97 TSHR (0.44) TSHRTHRBABCB11ESR1PGR
Pentane SCHEMBL27995061 0.90 TSHR (0.47) TSHRTHRBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102489177-B Polydimethylsiloxane permeable vaporized gasoline desulphurization membrane and preparation method thereof UNIV XIAMEN 2014-07-30 CN claimed
CN-102417480-A Spirocyclic nitriles as protease inhibitors SANOFI AVENTIS 2012-04-18 CN claimed
CN-101327409-B Polyimide pervaporation membrane and preparation method and application thereof UNIV TIANJIN 2011-08-24 CN claimed
CN-101460462-A Spirocyclic nitriles as protease inhibitors SANOFI AVENTIS (FR) 2009-06-17 CN claimed
CN-101327409-A Polyimides pervaporation membrane and preparation method and use UNIV TIANJIN (CN) 2008-12-24 CN claimed
US-20240034821-A1 DISPERSION STABILIZER BASED ON AT LEAST TWO TYPES OF POLYOLS AND METHOD OF PREPARING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2024-02-01 US disclosed
CN-110681272-B Polyimide pervaporation membrane and preparation method thereof 中国石油化工股份有限公司 2022-02-01 CN disclosed
CN-110681266-B Method for separating small molecule solvent in aprotic polar solvent 中国石油化工股份有限公司 2021-11-30 CN disclosed
CN-110523300-B Method for preparing PEG/Cu-BTC/PVDF (polyethylene glycol/copper-BTC/polyvinylidene fluoride) desulfurization mixed matrix membrane by water-based process 西北大学 2021-10-29 CN disclosed
CN-110523300-B Method for preparing PEG/Cu-BTC/PVDF (polyethylene glycol/copper-BTC/polyvinylidene fluoride) desulfurization mixed matrix membrane by water-based process 西北大学 2021-10-29 CN disclosed
CN-110102184-B Preparation method of PEG/ZIF-8/PVDF laminated assembled desulfurization membrane 西北大学 2021-10-19 CN disclosed
CN-110508166-B Surface metal ion modified silicon rubber desulfurization film and preparation method and application thereof 西北大学 2021-10-12 CN disclosed
US-20100018903-A1 DESULPHURIZATION OF HYDROCARBON FEEDS USING ELECTROLYTIC HYDROGEN INTEVEP, S.A. (VE) 2010-01-28 US disclosed
CN-101460462-A Spirocyclic nitriles as protease inhibitors SANOFI AVENTIS (FR) 2009-06-17 CN disclosed
CN-101454313-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-06-10 CN disclosed
CN-100455616-C Polyol compound, transparent molded article and method of manufacturing transparent molded article HOYA CORP (JP) 2009-01-28 CN disclosed
CN-101327409-A Polyimides pervaporation membrane and preparation method and use UNIV TIANJIN (CN) 2008-12-24 CN disclosed
CN-101327409-A Polyimides pervaporation membrane and preparation method and use UNIV TIANJIN (CN) 2008-12-24 CN disclosed
CN-1933853-A Drug conjugates UNIV NEW YORK (US) 2007-03-21 CN disclosed
CN-1826362-A Polyol compound, transparent molded article and method of manufacturing transparent molded article HOYA CORP (JP) 2006-08-30 CN disclosed