⚠ 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 SCHEMBL191107 | 1.00 | — | — | |
| Thiouracil SCHEMBL11756790 | 0.87 | — | — | |
| Thiouracil SCHEMBL11777980 | 0.85 | — | — | |
| Methylthiouracil SCHEMBL23628579 | 0.82 | UHRF1 (0.32) | — | |
| Thiouracil SCHEMBL7804099 | 0.82 | DAO (0.30) | — | |
| Thiouracil SCHEMBL11751555 | 0.80 | — | — | |
| Thiouracil SCHEMBL11759356 | 0.77 | MEN1 (0.32) | — | |
| Thiouracil SCHEMBL9097033 | 0.74 | TP53 (0.54) | — | |
| Thiouracil SCHEMBL11759364 | 0.74 | — | — | |
| SCHEMBL467548 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4058848-A1 | POSITIVE WORKING PHOTOSENSITIVE MATERIAL | Merck Patent GmbH (DE) | 2022-09-21 | — | — | EP | disclosed |