⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20206760 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL19413490 | 0.64 | — | — | |
| SCHEMBL21324847 | 0.60 | — | — | |
| SCHEMBL27884713 | 0.60 | CNR1 (0.32) | — | |
| SCHEMBL8926934 | 0.59 | CNR1 (0.33) | — | |
| SCHEMBL16287281 | 0.57 | — | — | |
| SCHEMBL20243868 | 0.56 | TSHR (0.34) | — | |
| SCHEMBL22142076 | 0.56 | CHRM2 (0.34) | — | |
| SCHEMBL5006754 | 0.56 | — | — | |
| SCHEMBL22142398 | 0.55 | — | — |
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 |