⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478401 | 0.82 | CYP2C19 (0.48) | — | |
| SCHEMBL6386093 | 0.79 | CYP2C19 (0.47) | — | |
| SCHEMBL29250306 | 0.77 | CYP2C19 (0.46) | — | |
| SCHEMBL31051487 | 0.76 | — | — | |
| SCHEMBL632070 | 0.76 | — | — | |
| SCHEMBL31051498 | 0.76 | — | — | |
| SCHEMBL557857 | 0.76 | — | — | |
| SCHEMBL29000665 | 0.74 | CYP2C19 (0.41) | — | |
| SCHEMBL28115222 | 0.74 | CYP2C19 (0.41) | — | |
| SCHEMBL22412860 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |
| EP-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |