⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20686168 | 0.89 | TP53 (0.30) | — | |
| SCHEMBL20686190 | 0.88 | TP53 (0.31) | — | |
| SCHEMBL20686158 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL20686173 | 0.87 | UBE2T (0.32) | — | |
| SCHEMBL20686169 | 0.82 | LMNA (0.43) | — | |
| SCHEMBL20686187 | 0.82 | — | — | |
| SCHEMBL17275693 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL17275860 | 0.78 | PROKR1 (0.33) | — | |
| SCHEMBL20686268 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL16322756 | 0.75 | PRSS1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145923-B1 | INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-01-30 | — | — | EP | disclosed |