⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456284 | 0.75 | AHR (0.39) | — | |
| SCHEMBL29620985 | 0.75 | — | — | |
| SCHEMBL4928856 | 0.75 | — | — | |
| SCHEMBL31312464 | 0.71 | — | — | |
| SCHEMBL10403585 | 0.71 | — | — | |
| SCHEMBL7641629 | 0.71 | — | — | |
| SCHEMBL2579946 | 0.71 | — | — | |
| SCHEMBL6136498 | 0.71 | — | — | |
| SCHEMBL21355649 | 0.71 | — | — | |
| SCHEMBL30725574 | 0.70 | HDAC8 (0.32) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 |
| EP-0336705-A2 | Cephem compounds and a production method therefor | AJINOMOTO CO., INC. (JP) | 1989-10-11 | — | — | EP | disclosed |
| US-4097669-A | FUNGICIDES, BACTERICIDES, INSECTICIDES, ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-27 | — | — | US | disclosed |