⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL26984767 | 0.97 | — | — | |
| SCHEMBL3405454 | 0.82 | — | — | |
| SCHEMBL8521872 | 0.82 | — | — | |
| SCHEMBL17642692 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3580219 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL25368333 | 0.79 | — | — | |
| SCHEMBL17032496 | 0.79 | — | — | |
| SCHEMBL15830664 | 0.79 | — | — | |
| SCHEMBL9408032 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL31141131 | 0.75 | SLC6A2 (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-2022076285-A1 | LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-04-14 | — | — | WO | disclosed |