⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8864081 | 0.68 | — | — | |
| SCHEMBL8334543 | 0.66 | — | — | |
| SCHEMBL8458389 | 0.58 | — | — | |
| SCHEMBL6440833 | 0.55 | — | — | |
| SCHEMBL24521764 | 0.53 | — | — | |
| SCHEMBL7554731 | 0.52 | — | — | |
| SCHEMBL311842 | 0.52 | — | — | |
| SCHEMBL25476826 | 0.48 | — | — | |
| SCHEMBL15781002 | 0.47 | ADORA2A (0.32) | — | |
| SCHEMBL8973491 | 0.47 | — | — |
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-0577816-B1 | POLYSILANE-BASED COMPOSITION | FLAMEL TECH SA (FR) | 1999-04-07 | — | — | EP | disclosed |