⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3361943 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL9490076 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL29144377 | 0.67 | HSD11B1 (0.32) | — | |
| SCHEMBL6898958 | 0.65 | — | — | |
| SCHEMBL12166860 | 0.63 | — | — | |
| SCHEMBL24831126 | 0.61 | — | — | |
| SCHEMBL9694865 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL29209858 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL27797001 | 0.61 | UGT2B7 (0.32) | — | |
| SCHEMBL18430746 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113924334-B | Silane coupling agent composition comprising silane compound and protein denaturing agent, and rubber composition comprising same | 引能仕株式会社 | 2024-08-16 | — | — | CN | disclosed |
| CN-113227290-B | Silane compound and composition thereof | 引能仕株式会社 | 2024-05-03 | — | — | CN | disclosed |