⚠ 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 | |
|---|---|---|---|---|
| Thiouracil SCHEMBL9172 | 0.97 | — | — | |
| Thiouracil SCHEMBL27922231 | 0.95 | — | — | |
| Uracil SCHEMBL28120281 | 0.89 | TP53 (0.83) | — | |
| Thiouracil SCHEMBL7804101 | 0.87 | TP53 (0.79) | — | |
| Thiouracil SCHEMBL28095966 | 0.85 | TP53 (0.76) | — | |
| Thiouracil SCHEMBL27970384 | 0.85 | TP53 (0.76) | — | |
| Thiouracil SCHEMBL28205719 | 0.83 | TP53 (0.73) | — | |
| Thiouracil SCHEMBL4958659 | 0.79 | TP53 (0.66) | — | |
| Thiouracil SCHEMBL22345877 | 0.78 | TP53 (0.63) | — | |
| Uracil SCHEMBL28946101 | 0.72 | CRBN (0.90) | — |
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-110590879-B | Acridinone derivatives containing ribose or deoxyribose sugar structure and preparation method and application thereof | 河南师范大学 | 2022-12-27 | — | — | CN | disclosed |