⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12554716 | 0.91 | CYP3A4 (0.31) | — | |
| SCHEMBL12772576 | 0.88 | CYP3A4 (0.32) | — | |
| SCHEMBL12771146 | 0.87 | CYP3A4 (0.31) | — | |
| SCHEMBL12553274 | 0.85 | — | — | |
| SCHEMBL12554712 | 0.82 | — | — | |
| SCHEMBL12553247 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL12771125 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL12772572 | 0.79 | — | — | |
| SCHEMBL12772541 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL12553257 | 0.79 | CYP3A4 (0.31) | — |
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 |