⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6860408 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL5404483 | 0.77 | — | — | |
| SCHEMBL24791189 | 0.77 | — | — | |
| SCHEMBL23382937 | 0.76 | — | — | |
| SCHEMBL23073804 | 0.75 | FDPS (0.37) | — | |
| SCHEMBL5402986 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL15250378 | 0.75 | — | — | |
| SCHEMBL24791143 | 0.75 | FDPS (0.37) | — | |
| SCHEMBL2627114 | 0.75 | — | — | |
| SCHEMBL12343738 | 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-2022263562-A1 | FUNCTIONALIZED Q-D/T-SILOXANE-BASED POLYMERIC MATERIALS AND FORMULATIONS AND METHOD FOR PREPARING SAME | SILOXENE AG (CH) | 2022-12-22 | — | — | WO | disclosed |