⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2955400 | 0.75 | ACHE (0.35) | — | |
| SCHEMBL29502328 | 0.75 | — | — | |
| SCHEMBL6136491 | 0.73 | — | — | |
| SCHEMBL18373701 | 0.71 | — | — | |
| SCHEMBL942792 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5953441 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11312886 | 0.71 | — | — | |
| SCHEMBL6136567 | 0.71 | — | — | |
| SCHEMBL28312811 | 0.71 | — | — | |
| SCHEMBL3128654 | 0.71 | TP53 (0.38) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140242157-A1 | EPICATECHIN COMPOSITIONS AND METHODS | CACAO BIO-TECHNOLOGIES, LLC (US) | 2014-08-28 | — | — | US | claimed |
| US-20110280933-A1 | EPICATECHIN COMPOSITIONS AND METHODS | CACAO BIO-TECHNOLOGIES, LLC (US) | 2011-11-17 | — | — | US | claimed |
| EP-1435953-A4 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | US ARMY MED RES MAT COMMAND (US) | 2005-05-04 | — | — | EP | claimed |
| EP-1435953-A1 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | U.S. Army Medical Research and Materiel Command (US) | 2004-07-14 | — | — | EP | claimed |
| US-6664280-B2 | For decontaminating an area exposed to a vesicant agent; for therapy of prophylaxis or inhibiting injuries induced by a vesicant agent, such as bis-2-chloroethylsulfide (HD) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2003-12-16 | — | — | US | claimed |
| US-20030055090-A1 | Antivesicant compounds and methods of making and using thereof | LG DISPLAY CO., LTD. (KR) | 2003-03-20 | — | — | US | claimed |
| WO-2003011292-A1 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) | 2003-02-13 | — | — | WO | claimed |
| US-20180127597-A1 | MOLD RESISTANT FORMABLE CORK | THE BOEING COMPANY (US) | 2018-05-10 | — | — | US | disclosed |
| US-20110305779-A1 | PHYTOCHEMICAL COMBINATIONS THAT REGULATE PATHOLOGICAL IMMUNITY | COWAN FRED M (US) | 2011-12-15 | — | — | US | disclosed |
| EP-1435953-A4 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | US ARMY MED RES MAT COMMAND (US) | 2005-05-04 | — | — | EP | disclosed |
| EP-1435953-A1 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | U.S. Army Medical Research and Materiel Command (US) | 2004-07-14 | — | — | EP | disclosed |
| US-6664280-B2 | For decontaminating an area exposed to a vesicant agent; for therapy of prophylaxis or inhibiting injuries induced by a vesicant agent, such as bis-2-chloroethylsulfide (HD) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2003-12-16 | — | — | US | disclosed |
| US-20030055090-A1 | Antivesicant compounds and methods of making and using thereof | LG DISPLAY CO., LTD. (KR) | 2003-03-20 | — | — | US | disclosed |
| WO-2003011292-A1 | ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF | U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) | 2003-02-13 | — | — | WO | disclosed |
| US-4508561-A | 1-Phenylethyl sulfone derivatives of 2-pyridyl-N-oxides and herbicidal compositions containing same | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1985-04-02 | — | — | US | disclosed |