Heptane

Heptane

SCHEMBL525073

CCCCCCC.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
THRB P10828 1/20 0.73
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
CHRM1 P11229 2/20 0.55
ACHE P22303 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
PGR P06401 1/20 0.55
HTR1A P08908 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55

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
Octane SCHEMBL230047 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Dodecane SCHEMBL4276278 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL8721425 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Benzene SCHEMBL7777324 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL21835095 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL2143566 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Nonane SCHEMBL8084281 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Heptane SCHEMBL11528917 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Tetradecane SCHEMBL21835096 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Hexadecane SCHEMBL8471184 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851973-A A kind of ionomer ethylene propylene diene rubber and preparation method thereof 浙江省仙居县博达异型橡塑有限公司 2019-06-07 CN claimed
CN-109825022-A Reversible crosslinked ethylene propylene diene monomer rubber and preparation method thereof 浙江省仙居县博达异型橡塑有限公司 2019-05-31 CN claimed
CN-106730997-B A kind of crude oil Interfacial stress multi-stage separation method 中国海洋石油集团有限公司 2018-10-26 CN claimed
CN-104547826-B Galangal rhizome extract treats the medical usage of dysmenorrhoea 海南医学院 2017-11-17 CN claimed
CN-106730997-A A kind of crude oil Interfacial stress multi-stage separation method 中国海洋石油总公司 2017-05-31 CN claimed
CN-102180760-B Method for preparing benzene-free heptane solvent BEIJING YANSHAN JILIAN PETROLEUM CHEMICAL CO LTD 2013-07-31 CN claimed
CN-102180760-A Method for preparing benzene-free heptane solvent BEIJING YANSHAN JILIAN PETROLEUM CHEMICAL CO LTD 2011-09-14 CN claimed
CN-101225012-B Method for ultrasonic extraction and distillation separation of benzene-cyclohexane and benzene-n-heptane UNIV HARBIN ENG 2010-06-02 CN claimed
US-7524977-B2 Process for producing fluoroalkanesulfonamide derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2009-04-28 US claimed
CN-101225012-A Method for ultrasonic extraction and distillation separation of benzene-cyclohexane and benzene-n-heptane UNIV HARBIN ENG (CN) 2008-07-23 CN claimed
WO-2003049200-A2 ELECTROLUMINESCENT DEVICE IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2003-06-12 WO claimed
US-4515728-A CLUSTER COMPOUNDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1985-05-07 US claimed
US-20240218267-A1 AROMATICS EXTRACTION THROUGH INTEGRATION OF COMPLEMENTARY CO-SOLVENTS UOP LLC 2024-07-04 US disclosed
WO-2024145089-A1 IMPROVING AROMATICS EXTRACTION THROUGH INTEGRATION OF COMPLEMENTARY CO-SOLVENTS UOP LLC (US) 2024-07-04 WO disclosed
CN-109665981-B Preparation method of caprolactam 中国石油化工股份有限公司 2024-05-17 CN disclosed
CN-109665995-B Refining method of caprolactam crude product and preparation method of caprolactam 中国石油化工股份有限公司(CN) 2023-01-13 CN disclosed
US-3941841-A Method for synthesizing rhodoxanthin HOFFMANN-LA ROCHE INC. (US) 1976-03-02 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US disclosed
US-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US disclosed
US-3936308-A Photographic emulsions containing methine dyes having a 1H-imidazo[4,5-b]pyrazine nucleus EASTMAN KODAK COMPANY (US) 1976-02-03 US disclosed