⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19861720 | 0.92 | BCHE (0.31) | — | |
| SCHEMBL9978054 | 0.78 | CYP3A4 (0.44) | — | |
| SCHEMBL15908556 | 0.77 | — | — | |
| SCHEMBL27939154 | 0.75 | — | — | |
| SCHEMBL19719142 | 0.74 | — | — | |
| SCHEMBL19861773 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL27939172 | 0.72 | — | — | |
| SCHEMBL9977914 | 0.71 | CYP3A4 (0.51) | — | |
| SCHEMBL19719138 | 0.70 | CNR2 (0.33) | — | |
| SCHEMBL15908562 | 0.69 | TSHR (0.36) | — |
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-9890178-B2 | Azabenzimidazoles as respiratory syncytial virus antiviral agents | JANSSEN SCIENCES IRELAND UC (IE) | 2018-02-13 | — | — | US | disclosed |