⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10952648 | 0.76 | — | — | |
| SCHEMBL558683 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL3441382 | 0.71 | — | — | |
| SCHEMBL17781335 | 0.69 | — | — | |
| SCHEMBL17202504 | 0.67 | — | — | |
| SCHEMBL6036870 | 0.67 | GAA (0.32) | — | |
| SCHEMBL1465329 | 0.66 | — | — | |
| SCHEMBL44131 | 0.62 | — | — | |
| SCHEMBL29031140 | 0.60 | — | — | |
| SCHEMBL9020270 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5849863-A | Cytolytic bradykinin antagonists | UNIVERSITY OF COLORADO (US) | 1998-12-15 | — | — | US | claimed |
| EP-0848718-A1 | CYTOLYTIC BRADYKININ ANTAGONISTS | CORTECH, INC. (US) | 1998-06-24 | — | — | EP | claimed |
| WO-1997009347-A1 | CYTOLYTIC BRADYKININ ANTAGONISTS | CORTECH, INC. (US) | 1997-03-13 | — | — | WO | claimed |