⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29257618 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL12574484 | 0.85 | — | — | |
| SCHEMBL29257617 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL18773274 | 0.84 | — | — | |
| SCHEMBL2151168 | 0.82 | HDAC3 (0.32) | — | |
| SCHEMBL222074 | 0.82 | HDAC3 (0.32) | — | |
| SCHEMBL659374 | 0.82 | HDAC3 (0.32) | — | |
| SCHEMBL2152207 | 0.82 | — | — | |
| SCHEMBL13351791 | 0.81 | — | — | |
| SCHEMBL7942099 | 0.80 | — | — |
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-2010031713-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |