⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5326404 | 0.82 | SLC6A2 (0.38) | — | |
| SCHEMBL4691876 | 0.81 | — | — | |
| SCHEMBL16106909 | 0.81 | — | — | |
| SCHEMBL1746181 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL536771 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL197402 | 0.77 | — | — | |
| SCHEMBL25111996 | 0.76 | — | — | |
| SCHEMBL554471 | 0.76 | — | — | |
| SCHEMBL3168 | 0.76 | — | — | |
| Fluoride SCHEMBL7750151 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102131816-A | Derivatives of oxabispidine as neuronal nicotinic acetylcholine receptor ligands | TARGACEPT INC | 2011-07-20 | — | — | CN | disclosed |
| WO-2009035855-A2 | NOVEL USES OF HALOGENATED ALKYL SULFONAMIDES | H. LUNDBECK A/S (DK) | 2009-03-19 | — | — | WO | disclosed |