⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641187 | 0.86 | — | — | |
| SCHEMBL3903690 | 0.85 | — | — | |
| SCHEMBL8172866 | 0.80 | — | — | |
| SCHEMBL8187549 | 0.79 | — | — | |
| SCHEMBL3287043 | 0.70 | — | — | |
| SCHEMBL9429404 | 0.66 | RAB9A (0.37) | — | |
| SCHEMBL16011652 | 0.62 | — | — | |
| SCHEMBL10074547 | 0.55 | — | — | |
| SCHEMBL14257630 | 0.54 | — | — | |
| SCHEMBL2240992 | 0.54 | RAB9A (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-5316990-A | Precious metal containing macrocyclic compounds | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1994-05-31 | — | — | US | disclosed |
| EP-0512713-A1 | Catalyst material | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1992-11-11 | — | — | EP | disclosed |