⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28693016 | 0.74 | — | — | |
| SCHEMBL29279614 | 0.74 | — | — | |
| SCHEMBL24253105 | 0.72 | MAPT (0.32) | — | |
| SCHEMBL14929651 | 0.69 | MAPT (0.30) | — | |
| SCHEMBL2891807 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL2889945 | 0.68 | MAPT (0.33) | — | |
| SCHEMBL23404192 | 0.66 | TOP2A (0.39) | — | |
| SCHEMBL1957390 | 0.65 | PTGS2 (0.48) | — | |
| SCHEMBL9324320 | 0.65 | — | — | |
| SCHEMBL23403989 | 0.65 | ALDH1A1 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0669380-B1 | Process for the preparation of azo dyes | CIBA SC HOLDING AG (CH) | 2001-03-28 | — | — | EP | claimed |
| US-11858902-B2 | High-performing metal-free primary explosive | PURDUE RESEARCH FOUNDATION (US) | 2024-01-02 | — | — | US | disclosed |
| EP-0669380-B1 | Process for the preparation of azo dyes | CIBA SC HOLDING AG (CH) | 2001-03-28 | — | — | EP | disclosed |
| US-5606034-A | Process for the preparation of azo dyes | CIBA-GEIGY CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| EP-0669380-A2 | Process for the preparation of azo dyes | CIBA-GEIGY AG (CH) | 1995-08-30 | — | — | EP | disclosed |