⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27943029 | 0.76 | — | — | |
| SCHEMBL27472050 | 0.70 | — | — | |
| SCHEMBL9115571 | 0.69 | — | — | |
| SCHEMBL8215728 | 0.69 | CYP1A2 (0.41) | — | |
| SCHEMBL28843623 | 0.69 | — | — | |
| SCHEMBL1864579 | 0.67 | — | — | |
| SCHEMBL20178518 | 0.65 | — | — | |
| SCHEMBL16701285 | 0.65 | — | — | |
| SCHEMBL15236107 | 0.65 | — | — | |
| SCHEMBL4105321 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728962-A | Plasma kallikrein inhibitors and uses thereof | 武田药品工业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-114667289-A | Heteroaryl plasma kallikrein inhibitors | 武田药品工业有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-112135825-A | Plasma kallikrein inhibitors and uses thereof | 夏尔人类遗传性治疗公司 | 2020-12-25 | — | — | CN | disclosed |