⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20201486 | 0.76 | — | — | |
| Creatinine SCHEMBL288087 | 0.74 | CRBN (0.61) | — | |
| Creatinine SCHEMBL8809815 | 0.74 | CRBN (0.61) | — | |
| SCHEMBL20201891 | 0.74 | — | — | |
| Creatinine SCHEMBL16295 | 0.74 | — | — | |
| Creatinine SCHEMBL2922002 | 0.72 | — | — | |
| Creatinine SCHEMBL6473476 | 0.72 | — | — | |
| Creatinine SCHEMBL3514057 | 0.72 | — | — | |
| Creatinine SCHEMBL8637084 | 0.72 | — | — | |
| Creatinine SCHEMBL4332495 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018098206-A1 | HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |