⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22118469 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL6415792 | 0.74 | — | — | |
| SCHEMBL1118445 | 0.74 | — | — | |
| SCHEMBL6686581 | 0.74 | — | — | |
| SCHEMBL12709696 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL23637744 | 0.72 | — | — | |
| SCHEMBL8642253 | 0.72 | — | — | |
| SCHEMBL12273895 | 0.72 | — | — | |
| SCHEMBL11236691 | 0.72 | — | — | |
| SCHEMBL22118467 | 0.72 | ALDH1A1 (0.32) | — |
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-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |