⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22820870 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL20989251 | 0.76 | GRIK1 (0.33) | — | |
| SCHEMBL13755853 | 0.73 | — | — | |
| SCHEMBL21505776 | 0.73 | — | — | |
| SCHEMBL2509174 | 0.73 | — | — | |
| SCHEMBL8931299 | 0.71 | — | — | |
| SCHEMBL19177004 | 0.71 | — | — | |
| SCHEMBL28187556 | 0.69 | — | — | |
| SCHEMBL18411693 | 0.69 | — | — | |
| SCHEMBL20216144 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11247984-B2 | Uracil containing compounds | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2022-02-15 | — | — | US | disclosed |
| US-20200039966-A1 | URACIL CONTAINING COMPOUNDS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2020-02-06 | — | — | US | disclosed |
| WO-2017156074-A1 | CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF | BLADE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |