Octane

Octane

SCHEMBL27624

CCCCCCCC.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
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
Octane SCHEMBL27625 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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2008081416-A2 STRIPPER FOR COATING LAYER AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-07-10 WO claimed
EP-4622987-A1 NEGATIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2025039676-A1 PAN-KRAS PROTEIN TARGETED DEGRADER COMPOUND AND USE THEREOF 贝达药业股份有限公司 2025-02-27 WO disclosed
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof MERCK SHARP & DOHME LLC (US) 2024-12-31 US disclosed
EP-4442683-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Kygent Pharmaceutical Co., Ltd (CN) 2024-10-09 EP disclosed
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
WO-2024120424-A1 COMPOUND TARGETING PAN-KRAS PROTEIN DEGRADATION AGENT AND USE THEREOF 贝达药业股份有限公司 2024-06-13 WO disclosed
WO-2024112759-A1 NEGATIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO disclosed
US-5892035-A FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND DAIKIN INDUSTRIES LTD. (JP) 1999-04-06 US disclosed
US-5892106-A Preparation of 3-fluoro oxindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-06 US disclosed
US-5808095-A Preparation of 3-fluoro oxindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-15 US disclosed
US-5780465-A 4-substituted 5-polycyclylpyrimidine herbicides DOW AGROSCIENCES LLC (US) 1998-07-14 US disclosed
EP-0842177-A1 PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS AlliedSignal Inc. (US) 1998-05-20 EP disclosed
WO-1997042193-A1 PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS ALLIEDSIGNAL INC. (US) 1997-11-13 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 (3 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 TSHR 435/4885THRB 607/4885DNM1 1963/4885
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof RIPK1, RIPK3, RIPK4 TSHR 3513/4885THRB 2181/4885DNM1 814/4885
US-20240208986-A1 PHENYL AZEPINES AS RIPK1 INHIBITORS AND METHODS OF USE THEREOF RIPK1, RIPK2, RIPK4 TSHR 4432/4885THRB 4089/4885DNM1 511/4885

“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.