Octane

Octane

SCHEMBL27625

CCCCCCCC.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
DNM1 Q05193 7/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47
EPHX1 P07099 1/20 0.47

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 SCHEMBL27624 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL27865572 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL8554735 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL28102289 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Nonane SCHEMBL27865569 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Undecane SCHEMBL28453375 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL28681950 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL28458543 1.00 TSHR (0.67) TSHRTHRBDNM1ALDH1A1LMNA
Octane SCHEMBL29415664 0.96 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Decane SCHEMBL7073253 0.96 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260081-B Sulfonamide indole aryl sulfone derivative and preparation method and application thereof 山东大学 2024-04-02 CN claimed
CN-112920208-B Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof 山东大学 2022-11-08 CN claimed
CN-115260081-A Sulfonamide indole aryl sulfone derivative and preparation method and application thereof 山东大学 2022-11-01 CN claimed
CN-111943901-B Method for directly synthesizing oxazolidine-2, 4-diketone heterocyclic compound from alkynylamide 南京工业大学 2022-10-11 CN claimed
CN-111909993-B Molecular probe of isoprene modified biomolecule and application thereof 华中科技大学 2022-03-25 CN claimed
CN-110343123-B Hybrid copper iodide and synthetic method and application thereof 安阳师范学院 2022-03-15 CN claimed
CN-112898188-B Method for preparing alpha-acyloxy thioether derivative 常州大学 2022-03-08 CN claimed
CN-113912548-A Abelide and preparation method of intermediate thereof 浙江师范大学行知学院 2022-01-11 CN claimed
WO-2022000868-A1 INTERMEDIATE FOR SYNTHESIZING CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海皓元生物医药科技有限公司 2022-01-06 WO claimed
CN-112920208-A Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof 山东大学 2021-06-08 CN claimed
EP-3126545-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF The Trustees of Princeton University (US) 2017-02-08 EP claimed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 WO claimed
EP-2122418-B1 STRIPPER FOR COATING LAYER AZ ELECTRONIC MATERIALS USA (US) 2012-08-08 EP claimed
US-8026201-B2 Comprising: a fluoride source, an organic quaternary ammonium base, and a solvent selected from an organic solvent, water, and mixtures thereof; for removing silicon-based anti-reflective coatings/hardmask layers from microelectronics; etch selectivity AZ ELECTRONIC MATERIALS USA CORP. (US) 2011-09-27 US claimed
EP-2122418-A2 STRIPPER FOR COATING LAYER AZ Electronic Materials USA Corp. (US) 2009-11-25 EP claimed
US-20080234506-A1 PROCESS FOR THE PREPARATION OF FLUOROTETRAENE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-09-25 US claimed
WO-2008081416-A2 STRIPPER FOR COATING LAYER AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-07-10 WO claimed
EP-1207166-B1 Process for the preparation of 6.alpha.-fluoro,9,11.beta.-epoxy-steroids FARMABIOS SPA (IT) 2007-09-26 EP claimed
US-20020062021-A1 Process for the preparation of fluorosteroids FARMABIOS S.P.A. (IT) 2002-05-23 US claimed
EP-1207166-A2 Process for the preparation of 6.alpha.-fluoro,9,11.beta.-epoxy-steroids Farmabios S.r.l. (IT) 2002-05-22 EP claimed

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-20080234506-A1 PROCESS FOR THE PREPARATION OF FLUOROTETRAENE CYP17A1, CYP21A2, CYP19A1 TSHR 806/4885THRB 590/4885DNM1 2451/4885
US-20020062021-A1 Process for the preparation of fluorosteroids CYP46A1, HSD3B1, CYP17A1 TSHR 573/4885THRB 783/4885DNM1 3839/4885

“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.