⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9176232 | 0.84 | — | — | |
| SCHEMBL8897643 | 0.80 | — | — | |
| SCHEMBL8960348 | 0.74 | — | — | |
| SCHEMBL913582 | 0.67 | — | — | |
| SCHEMBL3468674 | 0.65 | — | — | |
| SCHEMBL49181 | 0.65 | — | — | |
| SCHEMBL11713108 | 0.64 | — | — | |
| SCHEMBL6771153 | 0.64 | — | — | |
| SCHEMBL2854939 | 0.63 | — | — | |
| SCHEMBL3469728 | 0.63 | — | — |
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-0693536-A1 | Azo dyes with a chlorotriazine group | BAYER AG (DE) | 1996-01-24 | — | — | EP | disclosed |
| US-4054559-A | Reactive disazo monohalogenotriazine dyestuffs | NIPPON KAYAKU KABUSHIKI KAISHA (JA) | 1977-10-18 | — | — | US | disclosed |