⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681634 | 0.97 | — | — | |
| SCHEMBL3149097 | 0.95 | — | — | |
| Water SCHEMBL3732215 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL7187277 | 0.91 | — | — | |
| SCHEMBL4551239 | 0.83 | — | — | |
| SCHEMBL2325983 | 0.78 | CA2 (0.30) | — | |
| SCHEMBL2587734 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL1359869 | 0.74 | — | — | |
| SCHEMBL27418881 | 0.72 | PLOD2 (0.32) | — | |
| SCHEMBL632464 | 0.71 | CA2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1964872-B1 | Process for preparing organosilicon compounds having organyloxy groups | WACKER CHEMIE AG (DE) | 2009-10-21 | — | — | EP | disclosed |
| EP-1964872-A1 | Process for preparing organosilicon compounds having organyloxy groups | Wacker Chemie AG (DE) | 2008-09-03 | — | — | EP | disclosed |