⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8085130 | 0.91 | HTR1A (0.32) | — | |
| SCHEMBL8084238 | 0.87 | AKR1B1 (0.30) | — | |
| SCHEMBL8084985 | 0.86 | — | — | |
| SCHEMBL8090273 | 0.84 | RAB9A (0.34) | — | |
| SCHEMBL8090590 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL8085262 | 0.81 | — | — | |
| SCHEMBL8088772 | 0.80 | HIF1A (0.34) | — | |
| SCHEMBL8084501 | 0.80 | ABCC9 (0.41) | — | |
| SCHEMBL8077184 | 0.78 | — | — | |
| SCHEMBL8480470 | 0.77 | ABCC9 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-5013853-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-05-07 | — | — | US | disclosed |