⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29099333 | 1.00 | — | — | |
| SCHEMBL25401496 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL25401500 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL29099346 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL29099347 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL22230540 | 0.73 | — | — | |
| SCHEMBL28432789 | 0.73 | — | — | |
| SCHEMBL4071208 | 0.73 | — | — | |
| SCHEMBL27657571 | 0.73 | — | — | |
| SCHEMBL28683699 | 0.72 | CHRM2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116568310-A | Boric acid compounds | 株式会社LG化学 | 2023-08-08 | — | — | CN | disclosed |