⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3307944 | 0.83 | — | — | |
| SCHEMBL8069235 | 0.81 | — | — | |
| SCHEMBL3302616 | 0.76 | — | — | |
| SCHEMBL3308168 | 0.71 | — | — | |
| SCHEMBL7803284 | 0.71 | — | — | |
| SCHEMBL776640 | 0.70 | NPC1 (0.36) | — | |
| SCHEMBL1283388 | 0.70 | NPC1 (0.36) | — | |
| SCHEMBL2135110 | 0.67 | NPC1 (0.35) | — | |
| SCHEMBL2136773 | 0.67 | NPC1 (0.35) | — | |
| SCHEMBL25757562 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0309406-B2 | Reactive dyes, their preparation and their use | CIBA SC HOLDING AG (CH) | 2000-07-12 | — | — | EP | disclosed |
| US-5081296-A | Fiber-Reactive Dyes Intermediates | CIBA-GEIGY CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| EP-0309406-A1 | Reactive dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1989-03-29 | — | — | EP | disclosed |