⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17707939 | 0.79 | — | — | |
| SCHEMBL12769959 | 0.78 | — | — | |
| SCHEMBL30359203 | 0.78 | — | — | |
| SCHEMBL13155597 | 0.78 | — | — | |
| SCHEMBL8428511 | 0.77 | SLC1A3 (0.32) | — | |
| SCHEMBL27812618 | 0.77 | SLC1A3 (0.32) | — | |
| SCHEMBL1424486 | 0.77 | — | — | |
| SCHEMBL204058 | 0.77 | — | — | |
| SCHEMBL2121147 | 0.77 | — | — | |
| SCHEMBL9313391 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2308861-B1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI R&D MAN CO LTD (JP) | 2017-03-01 | — | — | EP | disclosed |