⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4047408 | 0.96 | — | — | |
| SCHEMBL29558782 | 0.85 | — | — | |
| SCHEMBL30089804 | 0.85 | — | — | |
| SCHEMBL7260922 | 0.85 | — | — | |
| SCHEMBL7262419 | 0.82 | — | — | |
| SCHEMBL4048481 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL7257687 | 0.78 | — | — | |
| SCHEMBL9879792 | 0.76 | PDE4B (0.32) | — | |
| SCHEMBL10002105 | 0.75 | — | — | |
| SCHEMBL15178544 | 0.71 | — | — |
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-4973718-A | RHENIUM PROPHYRIN CATALYST | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1990-11-27 | — | — | US | disclosed |
| US-4845252-A | COMPLEX TUNGSTEN CATALYST | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |