⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12220100 | 0.76 | — | — | |
| SCHEMBL14980230 | 0.72 | — | — | |
| SCHEMBL16085873 | 0.71 | UGT2B7 (0.33) | — | |
| SCHEMBL27427640 | 0.70 | — | — | |
| SCHEMBL14491061 | 0.69 | — | — | |
| SCHEMBL12191535 | 0.67 | — | — | |
| SCHEMBL12191547 | 0.67 | — | — | |
| SCHEMBL20871740 | 0.67 | — | — | |
| SCHEMBL5679411 | 0.67 | — | — | |
| SCHEMBL24323204 | 0.65 | TRPA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963285-A1 | BRADYKININ 1 RECEPTOR ANTAGONISTS | Amgen Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007067629-A1 | BRADYKININ 1 RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2007-06-14 | — | — | WO | disclosed |