⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29182294 | 0.74 | GAA (0.31) | — | |
| SCHEMBL9522115 | 0.73 | — | — | |
| SCHEMBL28810030 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL3237366 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL2221620 | 0.69 | — | — | |
| SCHEMBL3333539 | 0.69 | — | — | |
| SCHEMBL5162448 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL10377290 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL28614383 | 0.67 | — | — | |
| SCHEMBL4270528 | 0.66 | LMNA (0.42) | — |
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-115197112-A | Active oxygen-tolerant dicyano isophorone fluorescent probe, and preparation method and application thereof | 安徽医科大学 | 2022-10-18 | — | — | CN | disclosed |