⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7977657 | 0.80 | — | — | |
| SCHEMBL21183288 | 0.76 | ESR2 (0.39) | — | |
| SCHEMBL13862773 | 0.76 | RET (0.33) | — | |
| SCHEMBL14047283 | 0.76 | — | — | |
| SCHEMBL25039917 | 0.74 | — | — | |
| SCHEMBL13716257 | 0.74 | — | — | |
| SCHEMBL18596075 | 0.74 | — | — | |
| SCHEMBL18596207 | 0.74 | — | — | |
| SCHEMBL19648440 | 0.74 | — | — | |
| SCHEMBL19789926 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140166-A2 | OXAZOLOBENZIMIDAZOLE DERIVATIVES | MERCK & CO., INC. (US) | 2009-11-19 | — | — | WO | disclosed |