⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10625486 | 0.69 | — | — | |
| SCHEMBL7287410 | 0.64 | — | — | |
| Methane SCHEMBL8417513 | 0.64 | — | — | |
| SCHEMBL779794 | 0.61 | — | — | |
| SCHEMBL4573129 | 0.61 | — | — | |
| SCHEMBL1516928 | 0.61 | — | — | |
| SCHEMBL643645 | 0.60 | — | — | |
| SCHEMBL9388781 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL10628064 | 0.59 | — | — | |
| SCHEMBL31418695 | 0.59 | ALOX5 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4677199-A | Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals | BASF AKTIENGESELLSCHAFT (DE) | 1987-06-30 | — | — | US | disclosed |
| EP-0119441-B1 | REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS | BASF Aktiengesellschaft (DE) | 1987-02-25 | — | — | EP | disclosed |
| EP-0119441-A2 | Reactive dyes with substituted 4-fluoropyridaz-6-one groups | BASF Aktiengesellschaft (DE) | 1984-09-26 | — | — | EP | disclosed |