⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15584 | 0.96 | — | — | |
| SCHEMBL15068452 | 0.96 | CA1 (0.46) | — | |
| SCHEMBL324713 | 0.92 | — | — | |
| SCHEMBL9358622 | 0.92 | — | — | |
| SCHEMBL4729227 | 0.92 | — | — | |
| SCHEMBL6537240 | 0.92 | — | — | |
| SCHEMBL11244035 | 0.92 | — | — | |
| Strontium SCHEMBL10626900 | 0.92 | — | — | |
| SCHEMBL6531312 | 0.92 | — | — | |
| SCHEMBL14995323 | 0.92 | — | — |
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-20100059523-A1 | CONTAINER CLOSURE | HENKEL AG & CO. KGAA (DE) | 2010-03-11 | — | — | US | disclosed |
| US-20050239680-A1 | Large volume moulded body of washing or cleaning agent | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2005-10-27 | — | — | US | disclosed |