⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2168792 | 1.00 | — | — | |
| SCHEMBL8571749 | 0.97 | — | — | |
| SCHEMBL13447533 | 0.88 | TDP1 (0.30) | — | |
| SCHEMBL11857696 | 0.84 | — | — | |
| SCHEMBL634247 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL11624219 | 0.78 | — | — | |
| SCHEMBL5408936 | 0.76 | — | — | |
| SCHEMBL6178676 | 0.75 | — | — | |
| SCHEMBL3194774 | 0.75 | — | — | |
| SCHEMBL3825563 | 0.75 | — | — |
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-20090253750-A1 | 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES | ELI LILLY AND COMPANY | 2009-10-08 | — | — | US | disclosed |