⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL972733 | 0.62 | — | — | |
| SCHEMBL644833 | 0.60 | — | — | |
| SCHEMBL9231132 | 0.60 | — | — | |
| SCHEMBL292329 | 0.54 | — | — | |
| SCHEMBL1510165 | 0.54 | — | — | |
| SCHEMBL1926305 | 0.54 | — | — | |
| SCHEMBL8372367 | 0.54 | — | — | |
| SCHEMBL387162 | 0.50 | — | — | |
| SCHEMBL63148 | 0.49 | — | — | |
| SCHEMBL107641 | 0.49 | PTK2 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006107644-A1 | COLORANT COMPOUNDS, INTERMEDIATES, AND COMPOSITIONS | MILLIKEN & COMPANY (US) | 2006-10-12 | — | — | WO | disclosed |