⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210516 | 0.96 | BCHE (0.60) | — | |
| SCHEMBL7209272 | 0.87 | — | — | |
| SCHEMBL1123389 | 0.85 | BCHE (0.57) | — | |
| SCHEMBL6788161 | 0.85 | — | — | |
| SCHEMBL7210509 | 0.84 | BCHE (0.51) | — | |
| SCHEMBL6790189 | 0.83 | — | — | |
| SCHEMBL7214896 | 0.83 | BCHE (0.57) | — | |
| SCHEMBL1123268 | 0.83 | BCHE (0.56) | — | |
| SCHEMBL1123374 | 0.82 | BCHE (0.54) | — | |
| SCHEMBL7215478 | 0.82 | LPAR1 (0.52) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040067927-A1 | Substituted alkyldiamines | ACTELION PHARMACEUTICALS LTD. (CH) | 2004-04-08 | — | — | US | claimed |
| EP-1335899-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | Actelion Pharmaceuticals Ltd. (CH) | 2003-08-20 | — | — | EP | claimed |
| WO-2002038534-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2002-05-16 | — | — | WO | claimed |
| US-20040067927-A1 | Substituted alkyldiamines | ACTELION PHARMACEUTICALS LTD. (CH) | 2004-04-08 | — | — | US | disclosed |
| EP-1335899-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | Actelion Pharmaceuticals Ltd. (CH) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002038534-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2002-05-16 | — | — | WO | disclosed |