⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7376892 | 0.84 | — | — | |
| SCHEMBL7378253 | 0.81 | NPC1 (0.33) | — | |
| SCHEMBL7299641 | 0.78 | HRH4 (0.33) | — | |
| SCHEMBL7377731 | 0.77 | CCNC (0.31) | — | |
| SCHEMBL7379472 | 0.77 | CCNC (0.38) | — | |
| SCHEMBL7297986 | 0.76 | CYP2E1 (0.31) | — | |
| SCHEMBL7372934 | 0.76 | CDK8 (0.32) | — | |
| SCHEMBL7292926 | 0.76 | — | — | |
| SCHEMBL7348702 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL7292929 | 0.75 | NPBWR1 (0.30) | — |
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 2 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 |