⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1710325 | 0.90 | — | — | |
| SCHEMBL1710219 | 0.76 | MBOAT4 (0.37) | — | |
| SCHEMBL1710353 | 0.73 | NPC1 (0.39) | — | |
| SCHEMBL1710177 | 0.69 | P2RX3 (0.34) | — | |
| SCHEMBL1710200 | 0.69 | NPC1 (0.41) | — | |
| SCHEMBL1722176 | 0.67 | P2RX3 (0.33) | — | |
| SCHEMBL1710193 | 0.67 | CCNA2 (0.30) | — | |
| SCHEMBL1710278 | 0.67 | NPC1 (0.38) | — | |
| SCHEMBL1710225 | 0.66 | MBOAT4 (0.40) | — | |
| SCHEMBL1710188 | 0.65 | P2RX3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |