⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5584855 | 1.00 | — | — | |
| SCHEMBL5195767 | 0.88 | SUCNR1 (0.42) | — | |
| SCHEMBL5608067 | 0.88 | SUCNR1 (0.42) | — | |
| SCHEMBL5194126 | 0.88 | SUCNR1 (0.42) | — | |
| SCHEMBL10359233 | 0.83 | SUCNR1 (0.37) | — | |
| SCHEMBL8539572 | 0.80 | SUCNR1 (0.62) | — | |
| SCHEMBL3495093 | 0.69 | SUCNR1 (0.42) | — | |
| SCHEMBL21541079 | 0.69 | LMNA (0.40) | — | |
| SCHEMBL15765556 | 0.68 | SUCNR1 (0.48) | — | |
| SCHEMBL4458181 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0712854-B1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5608073-A | TAXANE INTERMEDIATES | TANABE SEIYAKU CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| US-5589502-A | ANTITUMOR | TANABE SEIYAKU CO., LTD. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0712854-A1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |