⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8084352 | 0.87 | KMT2A (0.31) | — | |
| SCHEMBL8085120 | 0.86 | — | — | |
| SCHEMBL7332017 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL7334084 | 0.85 | — | — | |
| SCHEMBL8090579 | 0.84 | — | — | |
| SCHEMBL8085137 | 0.84 | — | — | |
| SCHEMBL8084437 | 0.83 | HTT (0.30) | — | |
| SCHEMBL8085057 | 0.83 | — | — | |
| SCHEMBL7334075 | 0.81 | ABCC9 (0.30) | — | |
| SCHEMBL7330402 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153627-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-28 | — | — | US | disclosed |
| US-6040308-A | Chroman derivatives | MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-21 | — | — | US | disclosed |
| US-5387587-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-07 | — | — | US | disclosed |
| EP-0363883-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1990-04-18 | — | — | EP | disclosed |