⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24414295 | 0.82 | — | — | |
| SCHEMBL653853 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL36821 | 0.82 | — | — | |
| SCHEMBL2321956 | 0.82 | — | — | |
| SCHEMBL10418035 | 0.81 | PKM (0.42) | — | |
| SCHEMBL29958613 | 0.80 | CYP4F2 (0.44) | — | |
| Methane SCHEMBL21632462 | 0.80 | CYP4F2 (0.44) | — | |
| SCHEMBL122175 | 0.79 | — | — | |
| SCHEMBL8360055 | 0.79 | — | — | |
| SCHEMBL297524 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100402635-C | Laundry treatment compositions | UNILEVER NV (NL) | 2008-07-16 | — | — | CN | disclosed |
| CN-1729280-A | Laundry treatment compositions | UNILEVER NV (NL) | 2006-02-01 | — | — | CN | disclosed |