⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27770362 | 0.73 | APOBEC3G (0.37) | — | |
| SCHEMBL27473060 | 0.72 | — | — | |
| SCHEMBL27848965 | 0.70 | HDAC1 (0.32) | — | |
| SCHEMBL27770357 | 0.67 | L3MBTL1 (0.37) | — | |
| SCHEMBL27938865 | 0.64 | — | — | |
| SCHEMBL28306169 | 0.64 | PDE4A (0.30) | — | |
| SCHEMBL27561988 | 0.61 | — | — | |
| SCHEMBL27459564 | 0.59 | — | — | |
| SCHEMBL28305188 | 0.59 | — | — | |
| SCHEMBL10909382 | 0.56 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101495458-A | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER HEALTHCARE AG (DE) | 2009-07-29 | — | — | CN | disclosed |