⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7292149 | 0.89 | TNKS (0.31) | — | |
| SCHEMBL7298551 | 0.87 | POLB (0.33) | — | |
| SCHEMBL7300229 | 0.85 | NR4A2 (0.31) | — | |
| SCHEMBL7315149 | 0.84 | L3MBTL1 (0.35) | — | |
| SCHEMBL7299711 | 0.83 | WEE1 (0.31) | — | |
| SCHEMBL7298804 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL7313380 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL7374676 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL7372112 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL7294466 | 0.78 | CCNC (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308792-B1 | AZACHROMANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-4931454-A | Azachroman derivatives with effects on the cardiovascular system | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-06-05 | — | — | US | disclosed |
| EP-0308792-A2 | Azachromane derivatives | MERCK PATENT GmbH (DE) | 1989-03-29 | — | — | EP | disclosed |