⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23401441 | 0.86 | GCGR (0.30) | — | |
| SCHEMBL23400352 | 0.86 | — | — | |
| SCHEMBL23402345 | 0.83 | GCGR (0.33) | — | |
| SCHEMBL23401569 | 0.83 | GRIA4 (0.31) | — | |
| SCHEMBL23399713 | 0.80 | ESR1 (0.30) | — | |
| SCHEMBL23403639 | 0.80 | FFAR1 (0.36) | — | |
| SCHEMBL23400120 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL23399631 | 0.80 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL23399421 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL23398729 | 0.78 | SMN1; SMN2 (0.34) | — |
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 |