⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5542880 | 0.77 | — | — | |
| SCHEMBL6572712 | 0.72 | — | — | |
| SCHEMBL27606580 | 0.72 | — | — | |
| SCHEMBL33527 | 0.71 | — | — | |
| SCHEMBL29829218 | 0.71 | — | — | |
| SCHEMBL4862349 | 0.71 | ALOX5 (0.60) | — | |
| Formaldehyde SCHEMBL732503 | 0.71 | ALOX5 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL11691776 | 0.69 | ALOX5 (0.57) | — | |
| SCHEMBL259088 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL6676690 | 0.69 | ALOX5 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0765314-B1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMA CO LTD (JP) | 2003-05-07 | — | — | EP | claimed |
| EP-0398692-B1 | Alkoxyiminoacetamide derivatives and their use as fungicides | SHIONOGI & CO (JP) | 1996-08-21 | — | — | EP | claimed |
| EP-0234622-B1 | NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-06-27 | — | — | EP | claimed |
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |