⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2116781 | 0.67 | — | — | |
| SCHEMBL24605543 | 0.66 | — | — | |
| SCHEMBL18996062 | 0.56 | — | — | |
| SCHEMBL575737 | 0.56 | — | — | |
| SCHEMBL9448845 | 0.56 | — | — | |
| SCHEMBL1869574 | 0.53 | — | — | |
| SCHEMBL1641407 | 0.50 | — | — | |
| SCHEMBL5068769 | 0.50 | — | — | |
| SCHEMBL7953133 | 0.47 | LMNA (0.30) | — | |
| SCHEMBL282507 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020225831-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 4-{8-AMINO-3-[(2S)-1-(BUT-2-YNOYL)PYRROLIDIN-2-YL] IMIDAZO[1,5-A]PYRAZIN-1-YL)}-N-(PYRIDINE-2-YL)BENZAMIDE | MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) | 2020-11-12 | — | — | WO | disclosed |