⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6378031 | 0.82 | PKM (0.42) | — | |
| SCHEMBL20201951 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL3287271 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL20201400 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL14379071 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL20204627 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL10909379 | 0.71 | — | — | |
| SCHEMBL1362036 | 0.67 | — | — | |
| SCHEMBL7044026 | 0.64 | PIK3CD (0.42) | — | |
| SCHEMBL6231366 | 0.60 | TSHR (0.30) | — |
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-2018098207-A1 | HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |