⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5554879 | 0.70 | — | — | |
| SCHEMBL5980928 | 0.64 | ACHE (0.39) | — | |
| SCHEMBL10065841 | 0.64 | — | — | |
| SCHEMBL25159506 | 0.60 | PTPN1 (0.39) | — | |
| SCHEMBL13760265 | 0.59 | BRD4 (0.36) | — | |
| SCHEMBL18051439 | 0.58 | CYP2A6 (0.40) | — | |
| SCHEMBL14037703 | 0.56 | — | — | |
| SCHEMBL5978331 | 0.56 | ACHE (0.39) | — | |
| SCHEMBL565535 | 0.55 | NOS3 (0.35) | — | |
| SCHEMBL8157414 | 0.55 | — | — |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |