⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782831 | 0.78 | — | — | |
| SCHEMBL3540567 | 0.77 | — | — | |
| SCHEMBL3539717 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL222337 | 0.77 | — | — | |
| SCHEMBL3540876 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL1649618 | 0.73 | — | — | |
| SCHEMBL1823134 | 0.73 | — | — | |
| SCHEMBL2064384 | 0.72 | — | — | |
| SCHEMBL78895 | 0.67 | — | — | |
| SCHEMBL3538735 | 0.67 | ALDH1A1 (0.33) | — |
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-1240301-A2 | BLEACHING COMPOSITION | UNILEVER N.V. (NL) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001048138-A2 | BLEACHING COMPOSITION | UNILEVER N.V. (NL) | 2001-07-05 | — | — | WO | disclosed |