⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3426839 | 0.76 | — | — | |
| SCHEMBL20207088 | 0.68 | DAO (0.35) | — | |
| SCHEMBL465028 | 0.64 | — | — | |
| SCHEMBL31501146 | 0.60 | — | — | |
| SCHEMBL2590938 | 0.55 | GAA (0.48) | — | |
| SCHEMBL1264071 | 0.55 | PARP1 (0.59) | — | |
| SCHEMBL31160182 | 0.55 | PARP1 (0.59) | — | |
| SCHEMBL27533747 | 0.55 | — | — | |
| Thymine SCHEMBL4152636 | 0.55 | — | — | |
| SCHEMBL4031291 | 0.52 | — | — |
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-2018098204-A1 | 6-MEMBERED URACIL ISOSTERES | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |