⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12552983 | 0.89 | — | — | |
| SCHEMBL12552991 | 0.88 | — | — | |
| SCHEMBL12554571 | 0.85 | — | — | |
| SCHEMBL15152020 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL12770875 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL13156622 | 0.83 | — | — | |
| SCHEMBL12553924 | 0.82 | — | — | |
| SCHEMBL15385368 | 0.82 | — | — | |
| SCHEMBL12552176 | 0.80 | — | — | |
| SCHEMBL13156627 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130196987-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO., LTD. (JP) | 2013-08-01 | — | — | US | disclosed |
| US-8329742-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2012-12-11 | — | — | US | disclosed |
| US-20110144101-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO., LTD. (JP) | 2011-06-16 | — | — | US | disclosed |