⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27428032 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL9435000 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL8150303 | 0.83 | MAPT (0.41) | — | |
| SCHEMBL8796478 | 0.81 | — | — | |
| SCHEMBL8148021 | 0.78 | ESR1 (0.38) | — | |
| SCHEMBL8146059 | 0.78 | TP53 (0.35) | — | |
| SCHEMBL8147980 | 0.77 | — | — | |
| SCHEMBL8150574 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL8141067 | 0.77 | — | — | |
| SCHEMBL8155848 | 0.76 | PDE1C (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |