⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28991351 | 0.97 | — | — | |
| SCHEMBL372265 | 0.75 | — | — | |
| SCHEMBL40263 | 0.69 | — | — | |
| SCHEMBL17706830 | 0.69 | — | — | |
| SCHEMBL10593884 | 0.69 | — | — | |
| SCHEMBL195386 | 0.67 | — | — | |
| SCHEMBL3161530 | 0.66 | — | — | |
| SCHEMBL41930 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL28208580 | 0.66 | — | — | |
| SCHEMBL54589 | 0.66 | — | — |
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-116120287-A | Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein | 勃林格殷格翰国际有限公司 | 2023-05-16 | — | — | CN | disclosed |