⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5172991 | 0.86 | — | — | |
| SCHEMBL30925160 | 0.84 | — | — | |
| SCHEMBL190614 | 0.83 | — | — | |
| SCHEMBL61844 | 0.80 | — | — | |
| SCHEMBL27926531 | 0.79 | — | — | |
| SCHEMBL27790377 | 0.79 | — | — | |
| SCHEMBL5547595 | 0.77 | — | — | |
| SCHEMBL12972199 | 0.77 | — | — | |
| SCHEMBL8895126 | 0.77 | GABBR2 (0.31) | — | |
| SCHEMBL28068014 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008065039-A1 | SILOXANE-UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2008-06-05 | — | — | WO | disclosed |