⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14032382 | 0.79 | SLC6A2 (0.36) | — | |
| SCHEMBL20537294 | 0.76 | SLC6A2 (0.36) | — | |
| SCHEMBL9112814 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL18735782 | 0.73 | SLC6A2 (0.38) | — | |
| SCHEMBL7619689 | 0.72 | — | — | |
| SCHEMBL7619691 | 0.72 | — | — | |
| SCHEMBL27087454 | 0.72 | — | — | |
| SCHEMBL13560137 | 0.72 | — | — | |
| SCHEMBL25842227 | 0.72 | — | — | |
| SCHEMBL9111263 | 0.71 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3316877-B1 | ADO-RESISTANT CYSTEAMINE ANALOGS AND USES THEREOF | HORIZON ORPHAN LLC (US) | 2019-10-30 | — | — | EP | disclosed |