⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22644376 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL22633086 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL19900958 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL19900844 | 0.76 | — | — | |
| SCHEMBL19900787 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL21296632 | 0.74 | — | — | |
| SCHEMBL30833848 | 0.68 | — | — | |
| SCHEMBL22380629 | 0.67 | GRM2 (0.30) | — | |
| SCHEMBL2357928 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL30833865 | 0.65 | PNMT (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-20200268730-A1 | AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES | JANSSEN PHARMACEUTICA NV (BE) | 2020-08-27 | — | — | US | disclosed |