⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12770807 | 0.85 | — | — | |
| SCHEMBL12770804 | 0.83 | — | — | |
| SCHEMBL13156511 | 0.82 | — | — | |
| SCHEMBL9270650 | 0.71 | — | — | |
| SCHEMBL12770855 | 0.68 | — | — | |
| SCHEMBL15385380 | 0.68 | — | — | |
| SCHEMBL12770811 | 0.68 | — | — | |
| SCHEMBL13156683 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL7070473 | 0.67 | CYP3A4 (0.30) | — | |
| SCHEMBL12554558 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7799827-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |