⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7330935 | 0.84 | ABCB1 (0.39) | — | |
| SCHEMBL7334594 | 0.79 | KCNA5 (0.38) | — | |
| SCHEMBL7335715 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL8088697 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL7324625 | 0.72 | NQO2 (0.32) | — | |
| SCHEMBL9443497 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL7332017 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL8076897 | 0.67 | ABCC9 (0.38) | — | |
| SCHEMBL7330716 | 0.67 | ABCB1 (0.41) | — | |
| SCHEMBL7326497 | 0.67 | LMNA (0.33) | — |
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 |