Hexane

Hexane

SCHEMBL3032232

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.43
FDPS P14324 10/20 0.40
GGPS1 O95749 7/20 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 SCHEMBL8467539 1.00 CES2 (0.43) CES2FDPSGGPS1
Hexane SCHEMBL6279172 1.00 CES2 (0.43) CES2FDPSGGPS1
Hexane SCHEMBL10364795 1.00 CES2 (0.43) CES2FDPSGGPS1
Heptane SCHEMBL7356779 0.98 CES2 (0.47) CES2FDPSGGPS1
Pentane SCHEMBL16758664 0.91 CES2 (0.39) CES2FDPS
Hexane SCHEMBL16758670 0.90 CES2 (0.45) CES2
Hexane SCHEMBL15967387 0.90 CES2 (0.45) CES2
Heptane SCHEMBL3805263 0.90 CES2 (0.45) CES2
SCHEMBL8897727 0.89 CES2 (0.39) CES2FDPSGGPS1
Pentane SCHEMBL16758665 0.86 PAOX (0.42) CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023022523-A1 COMPOSITION FOR PREVENTION OR TREATMENT OF NOVEL CORONAVIRUS INFECTION COMPRISING SESQUITERPENOID-BASED COMPOUND OBTAINED FROM PSIDIUMA GUAJAVA LEAF EXTRACT OR FRACTION THEREOF AS ACTIVE INGREDIENT 서울대학교산학협력단 2023-02-23 WO disclosed
US-9771344-B2 Peloruside analogs UNIVERSITEIT GENT (BE) 2017-09-26 US disclosed
US-20160304483-A1 Peloruside Analogs UNIVERSITEIT GENT (BE) 2016-10-20 US disclosed
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
EP-1940863-B1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX SA (FR) 2012-09-05 EP disclosed
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS FERRER INTERNACIONAL S.A. (ES) 2011-12-01 US disclosed
US-20100234229-A1 Substituted Spirocyclic Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-16 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
CN-100575342-C Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG 2009-12-30 CN disclosed
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 US disclosed
US-5284838-A Hypotensive agents ELF SANOFI (FR) 1994-02-08 US disclosed
EP-0402982-B1 Adduct-aldehyde and its use for the preparation of a vitamin-D compound DUPHAR INT RES (NL) 1994-01-05 EP disclosed
US-5276021-A Anticholesterol or antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1994-01-04 US disclosed
US-5091378-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-02-25 US disclosed
EP-0185814-B1 PHENYLSERINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
US-4695580-A Phenylserine derivatives and processes for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1987-09-22 US disclosed
EP-0185814-A2 Phenylserine derivatives and processes for their preparation SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0070588-B1 METHOD OF PREPARING 1-ALPHA-HYDROXYVITAMIN D AND 1-ALPHA-HYDROXY-PREVITAMIN D COMPOUNDS, AND ADDUCT OF A PREVITAMIN D OR TACHYSTEROL COMPOUND WITH A SUITABLE DIENOPHILE DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-05-07 EP disclosed
US-4539153-A Method of preparing 1 α-hydroxyvitamin D and 1 α-hydroxyprevitamin D compounds, and adducts of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-09-03 US disclosed
EP-0070588-A1 Method of preparing 1-alpha-hydroxyvitamin D and 1-alpha-hydroxy-previtamin D compounds, and adduct of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-01-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304483-A1 Peloruside Analogs MAPRE1, MAPRE2, MAP1B CES2 4154/4885FDPS 212/4885GGPS1 284/4885
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 CES2 2425/4885FDPS 1149/4885GGPS1 815/4885
US-20100234229-A1 Substituted Spirocyclic Ketoenols HSD17B7, CYP17A1, HSD17B11 CES2 2667/4885FDPS 430/4885GGPS1 329/4885
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 CES2 2425/4885FDPS 1149/4885GGPS1 815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.