⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461471 | 0.83 | — | — | |
| SCHEMBL2527583 | 0.78 | — | — | |
| SCHEMBL23860269 | 0.78 | — | — | |
| SCHEMBL2502152 | 0.71 | — | — | |
| SCHEMBL4966793 | 0.71 | — | — | |
| SCHEMBL18533249 | 0.69 | — | — | |
| SCHEMBL28604869 | 0.69 | — | — | |
| SCHEMBL17001480 | 0.68 | — | — | |
| SCHEMBL1427329 | 0.67 | — | — | |
| SCHEMBL55581 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218498-B1 | USEFUL IN PREPARING MOISTURE CURABLE RTV-1 COMPOSITIONS, AND ARE USEFUL IN DIVERSE PROCESSES WHERE SCAVENGING OF PROTIC MATERIALS, PARTICULARLY WATER, IS DESIRED. | WACKER-CHEMIE GMBH (DE) | 2001-04-17 | — | — | US | disclosed |