⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13795773 | 0.67 | — | — | |
| SCHEMBL947 | 0.56 | — | — | |
| SCHEMBL53381 | 0.56 | — | — | |
| SCHEMBL14295011 | 0.51 | — | — | |
| SCHEMBL1310594 | 0.46 | LMNA (0.50) | — | |
| P-Xylene SCHEMBL497786 | 0.45 | ACHE (0.80) | — | |
| SCHEMBL2567092 | 0.44 | — | — | |
| SCHEMBL651684 | 0.43 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.42 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.42 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4001277-A2 | BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY | AC Immune SA (CH) | 2022-05-25 | — | — | EP | disclosed |
| US-20130109684-A1 | GRP94 INHIBITORS | UNIVERSITY OF KANSAS (US) | 2013-05-02 | — | — | US | disclosed |
| EP-1383731-B1 | BIARYL COMPOUNDS AS SERINE PROTEASE INHIBITORS | BIOCRYST PHARM INC (US) | 2009-08-05 | — | — | EP | disclosed |