⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13473646 | 0.73 | — | — | |
| SCHEMBL15744077 | 0.73 | — | — | |
| SCHEMBL20170871 | 0.72 | — | — | |
| SCHEMBL15880692 | 0.71 | — | — | |
| SCHEMBL2276275 | 0.71 | — | — | |
| SCHEMBL21746452 | 0.71 | — | — | |
| SCHEMBL17787792 | 0.71 | — | — | |
| SCHEMBL24801877 | 0.67 | — | — | |
| SCHEMBL12163166 | 0.65 | — | — | |
| SCHEMBL14355410 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3863713-B1 | PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2023-01-25 | — | — | EP | disclosed |
| WO-2020035540-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-02-20 | — | — | WO | disclosed |
| EP-2958919-B1 | DIHYDROPTERIDINONES I | BOEHRINGER INGELHEIM INT (DE) | 2019-05-22 | — | — | EP | disclosed |