⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1221668 | 0.83 | — | — | |
| SCHEMBL1223337 | 0.83 | — | — | |
| SCHEMBL4135407 | 0.67 | CYP2D6 (0.39) | — | |
| SCHEMBL25381664 | 0.64 | PGD (0.37) | — | |
| SCHEMBL21424403 | 0.64 | PGD (0.37) | — | |
| SCHEMBL27831265 | 0.64 | CYP3A4 (0.30) | — | |
| SCHEMBL9119694 | 0.63 | — | — | |
| SCHEMBL11473560 | 0.63 | — | — | |
| SCHEMBL1145900 | 0.63 | — | — | |
| SCHEMBL1700485 | 0.62 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940785-A2 | ACYCLIC 1,4-DIAMINES AND USES THEREOF | SmithKline Beecham Corporation (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007030761-A2 | ACYCLIC 1,4-DIAMINES AND USES THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-15 | — | — | WO | disclosed |