⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12772329 | 1.00 | — | — | |
| SCHEMBL13155310 | 1.00 | — | — | |
| SCHEMBL13155301 | 0.89 | — | — | |
| SCHEMBL13155308 | 0.89 | APLNR (0.31) | — | |
| SCHEMBL12769305 | 0.89 | — | — | |
| SCHEMBL12772284 | 0.89 | — | — | |
| SCHEMBL12769332 | 0.89 | APLNR (0.31) | — | |
| SCHEMBL12772321 | 0.88 | MAPT (0.30) | — | |
| SCHEMBL12769334 | 0.88 | MAPT (0.30) | — | |
| SCHEMBL13155311 | 0.88 | MAPT (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915306-B2 | For therapy of inflammatory or autoimmune disorders | EISAI CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |
| US-7799827-B2 | Macrocyclic compounds useful as pharmaceuticals | EISAI CO., LTD. (JP) | 2010-09-21 | — | — | US | disclosed |