⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19832133 | 0.85 | KCNH2 (0.34) | — | |
| SCHEMBL6127583 | 0.83 | — | — | |
| SCHEMBL15233562 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL6127496 | 0.77 | KCNH2 (0.36) | — | |
| SCHEMBL6127607 | 0.75 | — | — | |
| SCHEMBL13298053 | 0.75 | — | — | |
| SCHEMBL20408105 | 0.75 | KCNH2 (0.33) | — | |
| SCHEMBL12201042 | 0.75 | — | — | |
| SCHEMBL13800613 | 0.74 | — | — | |
| SCHEMBL13870193 | 0.70 | — | — |
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-2021213771-A1 | ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2021-10-28 | — | — | WO | disclosed |