⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14017877 | 0.81 | — | — | |
| SCHEMBL23096837 | 0.81 | — | — | |
| SCHEMBL14018266 | 0.76 | — | — | |
| SCHEMBL25100378 | 0.72 | — | — | |
| SCHEMBL14549243 | 0.69 | — | — | |
| SCHEMBL25150597 | 0.69 | — | — | |
| SCHEMBL23193430 | 0.68 | — | — | |
| SCHEMBL10121320 | 0.68 | — | — | |
| SCHEMBL14565534 | 0.68 | — | — | |
| SCHEMBL13159695 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |
| WO-2010057899-A1 | CYCLOALKYL AMINO CARBONYL DERIVATIVES AS BRADYKININ-B1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-27 | — | — | WO | disclosed |