⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21390794 | 0.92 | — | — | |
| SCHEMBL21390889 | 0.85 | — | — | |
| SCHEMBL21390813 | 0.83 | IDH1 (0.33) | — | |
| SCHEMBL21391058 | 0.83 | — | — | |
| SCHEMBL21390769 | 0.80 | — | — | |
| SCHEMBL21354666 | 0.79 | CCNT1 (0.31) | — | |
| SCHEMBL30315447 | 0.79 | CCNT1 (0.31) | — | |
| SCHEMBL21390922 | 0.78 | ALOX5AP (0.31) | — | |
| SCHEMBL21390821 | 0.76 | PDE2A (0.30) | — | |
| SCHEMBL21390676 | 0.76 | — | — |
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-2019183148-A1 | KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE | KNOPP BIOSCIENCES LLC (US) | 2019-09-26 | — | — | WO | disclosed |