⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22474796 | 0.86 | CAT (0.31) | — | |
| SCHEMBL17286468 | 0.86 | CAT (0.31) | — | |
| SCHEMBL18683690 | 0.85 | — | — | |
| SCHEMBL22474815 | 0.81 | — | — | |
| SCHEMBL17286490 | 0.81 | — | — | |
| SCHEMBL22474798 | 0.80 | — | — | |
| SCHEMBL17286546 | 0.79 | MAPT (0.31) | — | |
| SCHEMBL18662447 | 0.77 | CAT (0.33) | — | |
| SCHEMBL17286467 | 0.77 | CAT (0.33) | — | |
| SCHEMBL18675802 | 0.76 | CAT (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 |
|---|---|---|---|---|---|---|---|
| EP-3145936-B1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | QPEX BIOPHARMA INC (US) | 2020-09-30 | — | — | EP | disclosed |