⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27766621 | 0.79 | — | — | |
| SCHEMBL8068207 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL10356415 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL6551625 | 0.77 | — | — | |
| SCHEMBL38662364 | 0.75 | — | — | |
| SCHEMBL17656329 | 0.71 | — | — | |
| SCHEMBL14814280 | 0.71 | — | — | |
| SCHEMBL8069328 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL20658227 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL8057662 | 0.71 | MEN1 (0.39) | — |
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-1124903-B1 | CATIONIC AZO-DYES | BASF AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-6346609-B1 | DISAZO DYES OR POLYAZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-12 | — | — | US | disclosed |
| EP-0955342-B1 | Cationic azo dyes derived from aminobenzoic acid | BASF AG (DE) | 2001-07-11 | — | — | EP | disclosed |
| US-6048968-A | CATIONIC AZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-11 | — | — | US | disclosed |
| EP-0955342-A1 | Cationic azo dyes derived from aminobenzoic acid | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-10 | — | — | EP | disclosed |