Octane

Octane

SCHEMBL7473071

CCCCCCCC.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
FAAH O00519 11/20 0.48
CES1 P23141 10/20 0.48
CES2 O00748 4/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 SCHEMBL8472525 1.00 EPHX1 (0.59) EPHX1FAAHCES1CES2MEN1
Decane SCHEMBL27619136 1.00 EPHX1 (0.59) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL31222713 1.00 EPHX1 (0.59) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL3129636 0.97 EPHX1 (0.56) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL6544414 0.89 EPHX1 (0.50) EPHX1FAAHCES1CES2MEN1
Octadecylamine SCHEMBL6930485 0.89 DNM1 (0.54) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL28345163 0.89 EPHX1 (0.50) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL2857301 0.89 SLC22A1 (0.54) EPHX1CES1HSD17B10
Tetrahexylammonium SCHEMBL2862383 0.89 SLC22A1 (0.54) EPHX1CES1HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL2550111 0.87 EPHX1 (0.48) EPHX1FAAHCES1CES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253606-A Preparation method of aryl difluoromethyl alkyl sulfonyl fluoride compound 上海应用技术大学 2023-06-13 CN claimed
CN-113698325-A Method for preparing alkyl sulfonyl fluoride 上海应用技术大学 2021-11-26 CN claimed
US-12234203-B2 Process for the synthesis of cannabidiol and intermediates thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2025-02-25 US disclosed
CN-116253606-A Preparation method of aryl difluoromethyl alkyl sulfonyl fluoride compound 上海应用技术大学 2023-06-13 CN disclosed
CN-113698325-B Method for preparing alkyl sulfonyl fluoride 上海应用技术大学 2022-12-16 CN disclosed
US-20220340507-A1 PROCESS FOR THE SYNTHESIS OF CANNABIDIOL AND INTERMEDIATES THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2022-10-27 US disclosed
CN-113698325-A Method for preparing alkyl sulfonyl fluoride 上海应用技术大学 2021-11-26 CN disclosed
CN-102482238-B Conjugates, process for their preparation and their therapeutic use SAI NUOFEI (FR) 2015-08-12 CN disclosed
CN-101228131-B Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD 2013-01-09 CN disclosed
CN-102482238-A Novel conjugates, process for their preparation and their therapeutic use SANOFI AVENTIS 2012-05-30 CN disclosed
CN-101228131-A Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD (JP) 2008-07-23 CN disclosed
EP-1089729-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-1999066927-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-12-29 WO disclosed
WO-1999065492-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
CN-1222912-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO INC (US) 1999-07-14 CN disclosed
US-5892035-A FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND DAIKIN INDUSTRIES LTD. (JP) 1999-04-06 US disclosed
US-5756725-A CARBAPENEM NUCLEUS IS SUBSTITUTED AT THE 2-POSITION WITH A NAPHTHOSULTAM LINKED THROUGH A CH2 GROUP MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 EP disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 WO 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 (2 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-12234203-B2 Process for the synthesis of cannabidiol and intermediates thereof CNR2, CNR1, MCCC2 EPHX1 698/4885FAAH 11/4885CES1 508/4885
US-20220340507-A1 PROCESS FOR THE SYNTHESIS OF CANNABIDIOL AND INTERMEDIATES THEREOF CNR2, CNR1, MCCC2 EPHX1 698/4885FAAH 11/4885CES1 508/4885

“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.