⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10016118 | 0.87 | — | — | |
| SCHEMBL29853844 | 0.87 | PTGS1 (0.30) | — | |
| SCHEMBL3741980 | 0.78 | PTGS1 (0.32) | — | |
| SCHEMBL3741838 | 0.76 | PPM1B (0.31) | — | |
| SCHEMBL4686630 | 0.75 | PTGS1 (0.35) | — | |
| SCHEMBL6853326 | 0.75 | — | — | |
| SCHEMBL14364783 | 0.75 | — | — | |
| SCHEMBL13300115 | 0.75 | — | — | |
| SCHEMBL1439871 | 0.75 | — | — | |
| SCHEMBL13118397 | 0.75 | — | — |
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-6779656-B2 | CURABLE BIS(DIALKYL)(2-(7-OXABICYCLO(4.1.0)HEPT-3-YL)ALKYL)-SILANE DERIVATIVES; DENTAL ADHESIVES | 3M ESPE AG (DE) | 2004-08-24 | — | — | US | claimed |