⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23329845 | 0.80 | CACNA1H (0.32) | — | |
| SCHEMBL23330048 | 0.77 | PDE10A (0.33) | — | |
| SCHEMBL21354765 | 0.74 | KCNQ2 (0.36) | — | |
| SCHEMBL23330035 | 0.74 | PDE2A (0.33) | — | |
| SCHEMBL23329945 | 0.72 | CACNA1H (0.31) | — | |
| SCHEMBL23330031 | 0.70 | BRD4 (0.33) | — | |
| SCHEMBL18779267 | 0.70 | CNR1 (0.33) | — | |
| SCHEMBL23329509 | 0.69 | TRPV4 (0.38) | — | |
| SCHEMBL23330307 | 0.67 | — | — | |
| SCHEMBL23329948 | 0.67 | BACE1 (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 |
|---|---|---|---|---|---|---|---|
| US-20210130299-A1 | KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-05-06 | — | — | US | disclosed |