⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10490644 | 0.81 | — | — | |
| SCHEMBL30195931 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL3630413 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL98096 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL3892471 | 0.72 | — | — | |
| SCHEMBL10490681 | 0.72 | GABRA1 (0.34) | — | |
| SCHEMBL29354308 | 0.72 | AMY1A (0.44) | — | |
| SCHEMBL14926 | 0.72 | AMY1A (0.44) | — | |
| SCHEMBL7786851 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL24716501 | 0.70 | TP53 (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 |
|---|---|---|---|---|---|---|---|
| CN-109776377-B | Indoline compound and preparation method and application thereof | 沈阳药科大学 | 2021-08-24 | — | — | CN | disclosed |