⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24701567 | 0.74 | — | — | |
| SCHEMBL20175847 | 0.71 | — | — | |
| SCHEMBL11256849 | 0.71 | — | — | |
| SCHEMBL10050367 | 0.71 | — | — | |
| SCHEMBL21922251 | 0.69 | — | — | |
| SCHEMBL25123807 | 0.69 | TDP1 (0.31) | — | |
| SCHEMBL17180038 | 0.63 | — | — | |
| SCHEMBL19307850 | 0.61 | — | — | |
| SCHEMBL24894688 | 0.61 | — | — | |
| SCHEMBL25626247 | 0.61 | ALDH1A1 (0.33) | — |
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-2020227101-A1 | KCNT1 INHIBITORS AND METHODS OF USE | PRAXIS PRECISION MEDICINES, INC. (US) | 2020-11-12 | — | — | WO | disclosed |