⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21391047 | 0.78 | PIM1 (0.30) | — | |
| SCHEMBL21390924 | 0.77 | HTR3A (0.34) | — | |
| SCHEMBL21354704 | 0.77 | KCNQ3 (0.38) | — | |
| SCHEMBL21390929 | 0.73 | RORC (0.30) | — | |
| SCHEMBL21390682 | 0.73 | JAK1 (0.32) | — | |
| SCHEMBL21390826 | 0.72 | CACNA1H (0.35) | — | |
| SCHEMBL21391130 | 0.71 | CYP11B2 (0.38) | — | |
| SCHEMBL21390880 | 0.70 | HDAC1 (0.37) | — | |
| SCHEMBL21390950 | 0.70 | CYP11B2 (0.36) | — | |
| SCHEMBL21391073 | 0.69 | PDE10A (0.37) | — |
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 |