⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28650795 | 0.86 | — | — | |
| SCHEMBL6669626 | 0.75 | — | — | |
| SCHEMBL365472 | 0.74 | — | — | |
| SCHEMBL28963958 | 0.72 | — | — | |
| SCHEMBL21616732 | 0.72 | — | — | |
| Butadiene SCHEMBL11147748 | 0.72 | — | — | |
| SCHEMBL11015936 | 0.72 | — | — | |
| SCHEMBL6330185 | 0.69 | — | — | |
| SCHEMBL29085966 | 0.69 | — | — | |
| SCHEMBL29105771 | 0.69 | ALDH1A1 (0.32) | — |
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-115087652-A | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 勃林格殷格翰国际有限公司 | 2022-09-20 | — | — | CN | disclosed |