⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28740004 | 0.98 | SMN1; SMN2 (0.47) | — | |
| Iodide SCHEMBL22034785 | 0.98 | SMN1; SMN2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL17580242 | 0.98 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL28740218 | 0.92 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL15229909 | 0.79 | FDPS (0.43) | — | |
| SCHEMBL372630 | 0.78 | — | — | |
| SCHEMBL6155024 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1341771 | 0.77 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL15135113 | 0.77 | SMN1; SMN2 (0.43) | — | |
| Bromide SCHEMBL3854362 | 0.77 | SMN1; SMN2 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1518860-A1 | Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres | L'OREAL (FR) | 2005-03-30 | — | — | EP | claimed |
| WO-2020118238-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | KINTAI THERAPEUTICS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |
| EP-1518860-A1 | Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres | L'OREAL (FR) | 2005-03-30 | — | — | EP | disclosed |