⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4592981 | 0.83 | — | — | |
| SCHEMBL4592080 | 0.77 | KDM4C (0.34) | — | |
| SCHEMBL4591647 | 0.76 | GCGR (0.34) | — | |
| SCHEMBL4592414 | 0.75 | TRPM8 (0.34) | — | |
| SCHEMBL4592460 | 0.74 | GCGR (0.36) | — | |
| SCHEMBL4592284 | 0.74 | TRPM8 (0.35) | — | |
| SCHEMBL4592803 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL4592437 | 0.72 | C5AR1 (0.39) | — | |
| SCHEMBL4592271 | 0.71 | RAB9A (0.40) | — | |
| SCHEMBL4592274 | 0.71 | RAB9A (0.40) | — |
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-1885691-A1 | C5A RECEPTOR ANTAGONISTS | Jerini AG (DE) | 2008-02-13 | — | — | EP | claimed |
| WO-2006128670-A1 | C5A RECEPTOR ANTAGONISTS | JERINI AG (DE) | 2006-12-07 | — | — | WO | claimed |