⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17987718 | 0.75 | — | — | |
| SCHEMBL6039276 | 0.75 | — | — | |
| SCHEMBL29086003 | 0.73 | — | — | |
| SCHEMBL2162300 | 0.73 | — | — | |
| SCHEMBL17207576 | 0.73 | — | — | |
| SCHEMBL4744611 | 0.73 | — | — | |
| SCHEMBL11064146 | 0.73 | — | — | |
| SCHEMBL28464121 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL23070740 | 0.71 | — | — | |
| SCHEMBL1109097 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574178-A | CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1996-11-12 | — | — | US | disclosed |
| EP-0088346-B1 | 2-AMINOMETHYL-PHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-06-05 | — | — | EP | disclosed |
| EP-0088346-A2 | 2-Aminomethyl-phenol derivatives, process for their preparation, their use and pharmaceutical compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-09-14 | — | — | EP | disclosed |