⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5929067 | 0.87 | GAA (0.32) | — | |
| SCHEMBL5929300 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL5929012 | 0.72 | POLB (0.38) | — | |
| SCHEMBL5928890 | 0.66 | KDM4E (0.32) | — | |
| SCHEMBL5929178 | 0.66 | OPRK1 (0.39) | — | |
| SCHEMBL5928992 | 0.66 | CYP3A4 (0.36) | — | |
| SCHEMBL5929363 | 0.66 | KMT2A (0.39) | — | |
| SCHEMBL5929124 | 0.65 | BCHE (0.37) | — | |
| SCHEMBL5929189 | 0.65 | KMT2A (0.36) | — | |
| SCHEMBL5928973 | 0.65 | KMT2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060154917-A1 | Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators | NEUROGEN CORPORATION (US) | 2006-07-13 | — | — | US | disclosed |
| WO-2005007087-A2 | SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |