⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28292822 | 0.71 | — | — | |
| SCHEMBL10913375 | 0.70 | — | — | |
| SCHEMBL9339568 | 0.68 | — | — | |
| SCHEMBL5731756 | 0.67 | — | — | |
| SCHEMBL5901136 | 0.59 | — | — | |
| SCHEMBL30491916 | 0.59 | — | — | |
| SCHEMBL30491936 | 0.57 | — | — | |
| Potassium Ion SCHEMBL27672835 | 0.57 | — | — | |
| SCHEMBL12079523 | 0.55 | — | — | |
| SCHEMBL12079525 | 0.55 | — | — |
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-115611885-B | N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives | 厦门大学 | 2024-07-19 | — | — | CN | disclosed |