⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1588084 | 0.70 | — | — | |
| SCHEMBL1150701 | 0.68 | — | — | |
| SCHEMBL27906456 | 0.65 | — | — | |
| SCHEMBL3966052 | 0.64 | POLB (0.32) | — | |
| SCHEMBL31091494 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28339345 | 0.62 | BLM (0.32) | — | |
| SCHEMBL1076257 | 0.61 | — | — | |
| SCHEMBL9719988 | 0.61 | — | — | |
| SCHEMBL13140760 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL31296072 | 0.59 | TSHR (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102414177-B | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT | 2014-07-02 | — | — | CN | disclosed |
| US-20130131075-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-23 | — | — | US | disclosed |
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |
| CN-102414177-A | Compounds as bradykinin b1 antagonists | BOEHRINGER INGELHEIM INT | 2012-04-11 | — | — | CN | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| US-20100240669-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |