⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464800 | 0.77 | — | — | |
| SCHEMBL1456609 | 0.73 | — | — | |
| SCHEMBL2894361 | 0.72 | — | — | |
| SCHEMBL1456199 | 0.72 | — | — | |
| SCHEMBL28871042 | 0.72 | — | — | |
| SCHEMBL47858 | 0.72 | — | — | |
| SCHEMBL394016 | 0.71 | — | — | |
| SCHEMBL48817 | 0.70 | — | — | |
| SCHEMBL986985 | 0.70 | — | — | |
| SCHEMBL72987 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7655609-B2 | Soil release agent | MILLIKEN & COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-20070130695-A1 | Soil release agent | MILLIKEN & COMPANY | 2007-06-14 | — | — | US | disclosed |