⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13327283 | 0.93 | FFAR4 (0.30) | — | |
| SCHEMBL13312956 | 0.91 | — | — | |
| SCHEMBL13327284 | 0.89 | — | — | |
| SCHEMBL13312978 | 0.87 | EGFR (0.30) | — | |
| SCHEMBL13312979 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL9072983 | 0.80 | — | — | |
| SCHEMBL2978195 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL13312957 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL13312981 | 0.77 | — | — | |
| SCHEMBL13312980 | 0.77 | PDE3B (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7718798-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-18 | — | — | US | disclosed |