⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23402376 | 0.88 | ALDH1A1 (0.37) | — | |
| SCHEMBL8964161 | 0.86 | NPC1 (0.39) | — | |
| SCHEMBL6183796 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27516391 | 0.80 | — | — | |
| SCHEMBL29067918 | 0.76 | CYP2C9 (0.40) | — | |
| SCHEMBL293669 | 0.76 | — | — | |
| SCHEMBL10155081 | 0.74 | RAF1 (0.33) | — | |
| SCHEMBL24181745 | 0.74 | — | — | |
| SCHEMBL1859454 | 0.74 | — | — | |
| SCHEMBL26587902 | 0.74 | — | — |
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 |