⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12424775 | 0.91 | — | — | |
| SCHEMBL14140296 | 0.69 | — | — | |
| Boric Acid SCHEMBL8773878 | 0.65 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL9558279 | 0.65 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL8773880 | 0.65 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL9558281 | 0.65 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL8773885 | 0.65 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL8773883 | 0.65 | LMNA (0.31) | — | |
| SCHEMBL1112264 | 0.60 | — | — | |
| SCHEMBL1112269 | 0.60 | — | — |
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-3315486-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND | Tosoh Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |