⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23401921 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL23401064 | 0.81 | KDM5A (0.31) | — | |
| SCHEMBL23403430 | 0.78 | DAO (0.31) | — | |
| SCHEMBL23401759 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL23403415 | 0.77 | — | — | |
| SCHEMBL23398584 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL23401965 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL23399300 | 0.76 | — | — | |
| SCHEMBL23400088 | 0.76 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23399893 | 0.73 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |