Hexane

Hexane

SCHEMBL55152

CCCCCC.ClC(Cl)Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
DNM1 Q05193 6/20 0.44
SLC22A1 O15245 2/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL4325387 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL9879436 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL3782949 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL4333874 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL4330650 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL9244722 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Octane SCHEMBL4077297 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1
Hexane SCHEMBL1484516 0.96 TSHR (0.54) TSHRTHRBALDH1A1LMNATDP1
Chloroform SCHEMBL28294775 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1
Heptane SCHEMBL349511 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1

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

Appears in 5684 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719379-A1 A COMPOSITION FOR TREATING PARKINSON'S DISEASE Council of Scientific & Industrial Research (IN) 2026-04-08 EP claimed
WO-2024246935-A1 A COMPOSITION FOR TREATING PARKINSON'S DISEASE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-05 WO claimed
CN-110776506-B Benzothiadiazole bridged spiro aryl electroluminescent material and preparation method and application thereof 沈阳化工大学 2023-10-24 CN claimed
CN-116510784-A Metal carbonyl-based polymetallic complex catalyst and preparation method and application thereof 中国科学院大连化学物理研究所 2023-08-01 CN claimed
CN-112608309-B Non-condensed ring organic small molecular material containing fluorene ring group and preparation method and application thereof 武汉理工大学 2023-03-24 CN claimed
CN-108368047-B Picoxystrobin crystal form, preparation method and application thereof 江苏龙灯化学有限公司 2022-06-10 CN claimed
CN-110003304-B Water-soluble triptolide derivative and preparation method and application thereof 湖北大学 2022-02-22 CN claimed
CN-111269204-B Compound with antitumor activity and preparation method and application thereof 黑龙江中医药大学 2021-08-24 CN claimed
CN-111377896-B Compound separated from bighead atractylodes rhizome and having anti-tumor activity as well as preparation method and application thereof 黑龙江中医药大学 2021-08-20 CN claimed
CN-111410641-B Atractylodes macrocephala lactone polymer with antitumor activity and preparation method and application thereof 黑龙江中医药大学 2021-06-08 CN claimed
US-20030198698-A1 Bioactive hexane fraction from Vetiveria zizanioides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-10-23 US claimed
WO-2003080089-A1 BIOACTIVE HEXANE FRACTION FROM VETIVERIA ZIZANIOIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-02 WO claimed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US claimed
WO-2001040306-A9 HUMAN ANTIBODIES AS DETECTION REAGENTS BIOSITE DIAGNOSTICS INC (US) 2002-05-30 WO claimed
US-6384246-B1 ALCOHOL SOLVENT EXTRACTION, ADSORPTION, FURTHER EXTRACTION WITH ALIPHATIC HYDROCARBON AND CHLORINATED HYDROCARBON SOLVENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-05-07 US claimed
US-20020045769-A1 Novel acyclic chiral derivatives of hibiscus acid and the process of preparing the same DEPARTMENT OF SCIENCE AND TECHNOLOGY (IN) 2002-04-18 US claimed
US-20020042528-A1 Novel acyclic chiral compound from garcinia acid and process for preparing the same DEPARTMENT OF SCIENCE AND TECHNOLOGY, TECHNOLOGY BHAVAN (IN) 2002-04-11 US claimed
US-6365757-B1 CULTURING TISSUES OF TAXUS WALLICHIANIA; ISOLATION BY PARTITIONING THE CULTURE PRODUCT RESIDUE, OBTAINED BY POLAR SOLVENT EXTRACTION; DESOLVENTIZING BETWEEN WATER AND CHLORINATED SOLVENTS; EVAPORATION; CHROMOTOGRAPHY; ADSORPTION; COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-02 US claimed
US-6248321-B1 PRECIPITATING USING AQUEOUS EMULSION HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES, CANADIAN FORESTRY SERVICE (CA) 2001-06-19 US claimed
US-4104363-A Method for preparation of perfectly spherical particles of silicagel with controlled size and controlled pore dimensions CESKOSLOVENSKA AKADEMIE VED (CS) 1978-08-01 US claimed