⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1823134 | 0.92 | — | — | |
| SCHEMBL1649618 | 0.92 | — | — | |
| SCHEMBL3540567 | 0.81 | — | — | |
| SCHEMBL3540876 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL222337 | 0.81 | — | — | |
| SCHEMBL3539717 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL2064384 | 0.78 | — | — | |
| SCHEMBL9446897 | 0.76 | — | — | |
| SCHEMBL30353945 | 0.76 | — | — | |
| SCHEMBL40810 | 0.74 | ALDH1A1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1456337-A1 | SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003054128-A1 | SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-07-03 | — | — | WO | disclosed |