⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12966158 | 0.83 | CTRB1 (0.31) | — | |
| SCHEMBL30916078 | 0.72 | AAK1 (0.36) | — | |
| SCHEMBL30916093 | 0.67 | AAK1 (0.33) | — | |
| SCHEMBL12966169 | 0.67 | HDAC7 (0.36) | — | |
| SCHEMBL30476795 | 0.67 | CHRM1 (0.45) | — | |
| SCHEMBL19485900 | 0.67 | GAA (0.35) | — | |
| SCHEMBL20165468 | 0.66 | USP2 (0.31) | — | |
| SCHEMBL25687091 | 0.66 | MEN1 (0.33) | — | |
| SCHEMBL24298082 | 0.65 | AAK1 (0.35) | — | |
| SCHEMBL30916082 | 0.65 | AAK1 (0.35) | — |
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-9796705-B2 | Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2017-10-24 | — | — | US | disclosed |