⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13614278 | 0.78 | PDCD1 (0.34) | — | |
| SCHEMBL4349140 | 0.76 | CYP2D6 (0.37) | — | |
| SCHEMBL4349132 | 0.76 | CYP2D6 (0.37) | — | |
| SCHEMBL22473503 | 0.72 | ADRA2A (0.40) | — | |
| SCHEMBL20449129 | 0.71 | ADRA2A (0.47) | — | |
| SCHEMBL20449128 | 0.71 | ADRA2A (0.47) | — | |
| SCHEMBL31372083 | 0.70 | HTR1A (0.42) | — | |
| SCHEMBL13614280 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL4152363 | 0.68 | SSTR4 (0.38) | — | |
| SCHEMBL20449102 | 0.67 | SCN9A (0.34) | — |
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-1802612-A1 | NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS | Amgen, Inc (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044412-A1 | NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 2006-04-27 | — | — | WO | disclosed |