⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23815445 | 0.76 | — | — | |
| SCHEMBL24511307 | 0.68 | — | — | |
| SCHEMBL18772782 | 0.67 | CXCR4 (0.44) | — | |
| SCHEMBL13998026 | 0.65 | NOS3 (0.41) | — | |
| SCHEMBL20454480 | 0.59 | — | — | |
| SCHEMBL21610399 | 0.59 | — | — | |
| SCHEMBL9645876 | 0.57 | KMT2A (0.50) | — | |
| SCHEMBL5203506 | 0.57 | — | — | |
| SCHEMBL15134296 | 0.57 | — | — | |
| SCHEMBL18634492 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150087618-A1 | Anti-Viral Compounds | ABBVIE INC. (US) | 2015-03-26 | — | — | US | disclosed |