⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13626276 | 0.70 | FBP1 (0.33) | — | |
| SCHEMBL20048261 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL14387467 | 0.66 | — | — | |
| SCHEMBL14900249 | 0.65 | — | — | |
| SCHEMBL21501740 | 0.63 | — | — | |
| SCHEMBL24884347 | 0.61 | — | — | |
| SCHEMBL24543209 | 0.61 | — | — | |
| SCHEMBL18463698 | 0.61 | — | — | |
| SCHEMBL18463628 | 0.60 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL24014880 | 0.59 | — | — |
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-2009140451-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2009-11-19 | — | — | WO | disclosed |