⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30823653 | 0.59 | CYP2A6 (0.31) | — | |
| SCHEMBL4037370 | 0.58 | — | — | |
| SCHEMBL5642192 | 0.58 | — | — | |
| SCHEMBL30220101 | 0.58 | — | — | |
| SCHEMBL164154 | 0.56 | — | — | |
| SCHEMBL354550 | 0.56 | — | — | |
| SCHEMBL24777662 | 0.56 | — | — | |
| SCHEMBL25151176 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL2743974 | 0.55 | PNMT (0.39) | — | |
| Hydrochloric Acid SCHEMBL5465421 | 0.55 | PNMT (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115038704-A | Nitrogen oxide donating PDE-5 and/or PDE-6 inhibitor compounds | 日东制药股份有限公司 | 2022-09-09 | — | — | CN | disclosed |