⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3093599 | 0.77 | POLB (0.30) | — | |
| SCHEMBL3086899 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3083161 | 0.73 | POLB (0.33) | — | |
| SCHEMBL3086722 | 0.73 | BRD4 (0.36) | — | |
| SCHEMBL3080791 | 0.71 | MMP2 (0.35) | — | |
| SCHEMBL3082783 | 0.71 | MDM2 (0.30) | — | |
| SCHEMBL3081156 | 0.71 | RIPK1 (0.33) | — | |
| SCHEMBL31003828 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL3093852 | 0.70 | BRD4 (0.35) | — | |
| SCHEMBL13145417 | 0.68 | — | — |
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-20100227863-A1 | SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS | TOPOTARGET A/S (DK) | 2010-09-09 | — | — | US | disclosed |