⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2039459 | 0.75 | — | — | |
| SCHEMBL21357538 | 0.69 | — | — | |
| SCHEMBL8469567 | 0.68 | — | — | |
| SCHEMBL9921591 | 0.65 | CCR5 (0.32) | — | |
| SCHEMBL9921595 | 0.65 | — | — | |
| SCHEMBL1405614 | 0.65 | — | — | |
| SCHEMBL561164 | 0.59 | MEN1 (0.75) | — | |
| SCHEMBL8409243 | 0.57 | — | — | |
| SCHEMBL30414899 | 0.55 | — | — | |
| Phosphine SCHEMBL28852875 | 0.55 | MEN1 (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 1 patent. 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 |