⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5219501 | 0.97 | — | — | |
| SCHEMBL11093167 | 0.75 | — | — | |
| SCHEMBL22366261 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL5746869 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL11795810 | 0.73 | — | — | |
| SCHEMBL6859267 | 0.69 | KDM4E (0.46) | — | |
| SCHEMBL133932 | 0.69 | NPC1 (0.44) | — | |
| SCHEMBL3810514 | 0.69 | GRM5 (0.31) | — | |
| SCHEMBL5745449 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL19669752 | 0.69 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| EP-0693485-B1 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO (JP) | 1998-06-03 | — | — | EP | disclosed |
| US-5677470-A | CHEMICAL INTERMEDIATES; ANTITUMOR AGENTS | TANABE SEIYAKU CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0693485-A2 | Baccatin derivatives and processes for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1996-01-24 | — | — | EP | disclosed |