⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4015592 | 0.82 | — | — | |
| SCHEMBL599486 | 0.73 | — | — | |
| SCHEMBL4735895 | 0.73 | — | — | |
| SCHEMBL2244059 | 0.71 | — | — | |
| SCHEMBL1615429 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL16390221 | 0.67 | — | — | |
| SCHEMBL906757 | 0.67 | — | — | |
| Acetic Acid SCHEMBL1973749 | 0.65 | — | — | |
| SCHEMBL969574 | 0.64 | — | — | |
| SCHEMBL6249006 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2176315-B1 | CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS | HENKEL AG & CO KGAA (DE) | 2011-03-30 | — | — | EP | disclosed |
| EP-2176315-A1 | CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS | Henkel AG & Co. KGaA (DE) | 2010-04-21 | — | — | EP | disclosed |
| WO-2009021928-A1 | CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS | HENKEL AG & CO. KGAA (DE) | 2009-02-19 | — | — | WO | disclosed |