⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5916933 | 0.95 | BCHE (0.30) | — | |
| SCHEMBL5916787 | 0.93 | BCHE (0.32) | — | |
| SCHEMBL5916752 | 0.93 | BCHE (0.32) | — | |
| SCHEMBL5916629 | 0.89 | — | — | |
| SCHEMBL5916730 | 0.84 | BCHE (0.30) | — | |
| SCHEMBL5916702 | 0.81 | CA12 (0.34) | — | |
| SCHEMBL512341 | 0.79 | BCHE (0.32) | — | |
| SCHEMBL5916737 | 0.79 | BCHE (0.32) | — | |
| SCHEMBL5916608 | 0.78 | BCHE (0.34) | — | |
| SCHEMBL5916751 | 0.78 | BCHE (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060247407-A1 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) | 2006-11-02 | — | — | US | disclosed |
| US-7057001-B2 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-06-06 | — | — | US | disclosed |
| US-20050260401-A1 | Polymers with urea groups and silyl groups and production and use thereof | HENKEL AG & CO. KGAA (DE) | 2005-11-24 | — | — | US | disclosed |