Hexane

Hexane

SCHEMBL372207

CC(=O)OC(C)C.CCCCCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.46
PRKCA P17252 2/20 0.44
FAAH O00519 2/20 0.43
CA1 P00915 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40
GALR3 O60755 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL15841420 0.98 TSHR (0.67) TSHRLMNAALDH1A1PRKCAFAAH
Octane SCHEMBL10883673 0.98 TSHR (0.67) TSHRLMNAALDH1A1PRKCAFAAH
Heptane SCHEMBL350561 0.98 TSHR (0.67) TSHRLMNAALDH1A1PRKCAFAAH
Heptane SCHEMBL2123028 0.98 TSHR (0.67) TSHRLMNAALDH1A1PRKCAFAAH
Pentane SCHEMBL4454016 0.95 TSHR (0.70) TSHRLMNAALDH1A1PRKCAFAAH
1-Pentanol SCHEMBL11376862 0.91 TSHR (0.58) TSHRLMNAALDH1A1PRKCAFAAH
1-Heptanol SCHEMBL28115487 0.89 TSHR (0.56) TSHRLMNAALDH1A1PRKCAFAAH
Butyl Alcohol SCHEMBL15004902 0.89 TSHR (0.61) TSHRLMNAALDH1A1PRKCAFAAH
Acetic Acid Pentyl Ester SCHEMBL8386402 0.88 ALDH1A1 (0.63) TSHRLMNAALDH1A1PRKCACES2
2-Nonanone SCHEMBL15841421 0.88 LMNA (0.63) TSHRLMNAALDH1A1PRKCAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-105906565-A Synthesis method of 6-chlorophenanthridine 南京杰运医药科技有限公司 2016-08-31 CN claimed
EP-3727327-B1 USE OF MAGNOLIA ABSOLUTE IN COSMETICS FOR DEPIGMENTING THE SKIN ROBERTET SA (FR) 2024-05-15 EP disclosed
US-11654101-B2 Use of magnolia, juniper or violet absolute in cosmetics for depigmenting the skin ROBERTET S.A. (FR) 2023-05-23 US disclosed
US-20220409519-A1 COSMETIC USE OF AN AROMATIC RAW MATERIAL EXTRACT FOR PROTECTING SKIN FROM BLUE LIGHT ROBERTET S.A. (FR) 2022-12-29 US disclosed
CN-114057751-B Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-04-12 CN disclosed
CN-114057751-A Preparation method of DPP-IV inhibitor and key intermediate thereof 盛世泰科生物医药技术(苏州)有限公司 2022-02-18 CN disclosed
US-20200281846-A1 USE OF MAGNOLIA, JUNIPER OR VIOLET ABSOLUTE IN COSMETICS FOR DEPIGMENTING THE SKIN ROBERTET S.A. (FR) 2020-09-10 US disclosed
EP-2925720-B1 PROCESS FOR THE PREPARATION OF TRAVOPROST CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) 2019-05-22 EP disclosed
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 disclosed
CN-104781231-B The method for preparing travoprost 奇诺因药物和化学工厂私人有限公司 2017-10-27 CN disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed
US-4533655-A Analgesic dipeptide amides and method of use and compositions thereof STERLING DRUG INC. (US) 1985-08-06 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed
US-4489078-A Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators MEAD JOHNSON & COMPANY (US) 1984-12-18 US disclosed
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4454120-A CONTAINING TYROSINE EITHER METHIONINE, O-METHIONINE, GLUTAMINE, OR SERINE STERLING DRUG INC. (US) 1984-06-12 US disclosed
US-4404380-A BRONCHODILATORS, MEDIATOR RELEASE INHIBITORS, PHOSPHODIESTERASE INHIBITORS, AND VASODILATORS MEAD JOHNSON & COMPANY (US) 1983-09-13 US disclosed
US-4366156-A Antiallergic methods using diazaheterocyclopurines MEAD JOHNSON & COMPANY (US) 1982-12-28 US disclosed
US-4298734-A PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS MEAD JOHNSON & COMPANY (US) 1981-11-03 US disclosed