⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL374192 | 0.81 | — | — | |
| SCHEMBL35509 | 0.81 | — | — | |
| SCHEMBL432483 | 0.81 | — | — | |
| SCHEMBL30075317 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL22001696 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL23621134 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL9301611 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL20582013 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL804333 | 0.78 | SMN1; SMN2 (0.94) | — | |
| Potassium SCHEMBL30020888 | 0.78 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6388101-B1 | METHACRYLIC ACID ESTER OF 3-HYDROXY-3-METHYL-1-OXACYCLOPENTAN-2-ONE | TOKYO OHKA KOGYO CO., LTD. (JP) | 2002-05-14 | — | — | US | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| EP-0257102-B1 | AGENTS FOR TREATING NEUROPHATHY | MITSUI PETROCHEMICAL IND (JP) | 1997-11-19 | — | — | EP | disclosed |
| EP-0799617-A2 | Therapeutic agent for neurological diseases | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-08 | — | — | EP | disclosed |
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| US-5114461-A | Herbicides | MAY & BAKER LIMITED (GB) | 1992-05-19 | — | — | US | disclosed |
| US-4959368-A | PYRIMIDINE DERIVATIVES | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) | 1990-09-25 | — | — | US | disclosed |
| EP-0278742-A2 | Cyclic diones | MAY & BAKER LIMITED (GB) | 1988-08-17 | — | — | EP | disclosed |
| EP-0257102-A1 | AGENTS FOR TREATING NEUROPHATHY | Mitsui Chemicals, Inc. (JP) | 1988-03-02 | — | — | EP | disclosed |
| US-4532248-A | Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |