⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17714521 | 0.76 | — | — | |
| SCHEMBL31379552 | 0.76 | — | — | |
| SCHEMBL30186808 | 0.76 | — | — | |
| SCHEMBL20704989 | 0.76 | — | — | |
| SCHEMBL15938346 | 0.73 | — | — | |
| SCHEMBL21830589 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL24517539 | 0.71 | — | — | |
| SCHEMBL20545017 | 0.71 | — | — | |
| SCHEMBL22214089 | 0.71 | — | — | |
| SCHEMBL23151972 | 0.71 | ALDH1A1 (0.39) | — |
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-0371312-B1 | Benzoxazine derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |