⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148576 | 0.78 | — | — | |
| SCHEMBL2438805 | 0.78 | — | — | |
| SCHEMBL380702 | 0.74 | TDP1 (0.36) | — | |
| SCHEMBL29362719 | 0.74 | NFE2L2 (0.34) | — | |
| SCHEMBL13699095 | 0.72 | TYR (0.42) | — | |
| SCHEMBL3861881 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL28668945 | 0.70 | MAPT (0.42) | — | |
| SCHEMBL1773916 | 0.70 | NOS3 (0.41) | — | |
| SCHEMBL2982165 | 0.70 | TSHR (0.55) | — | |
| SCHEMBL2579397 | 0.69 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3837317-A1 | CROSSLINKABLE ORGANOSILOXANE COMPOSITIONS | Wacker Chemie AG (DE) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020035149-A1 | CROSSLINKABLE ORGANOYSILOXANE COMPOSITIONS | WACKER CHEMIE AG (DE) | 2020-02-20 | — | — | WO | disclosed |