⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19187723 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL19190275 | 0.81 | — | — | |
| SCHEMBL22957982 | 0.78 | — | — | |
| SCHEMBL1003654 | 0.76 | HDAC3 (0.40) | — | |
| SCHEMBL1003653 | 0.76 | HDAC3 (0.40) | — | |
| SCHEMBL17061403 | 0.76 | HDAC3 (0.40) | — | |
| SCHEMBL18766809 | 0.73 | — | — | |
| SCHEMBL19043218 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL23019420 | 0.73 | — | — | |
| SCHEMBL3642051 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210309661-A1 | IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | BIAL - R&D INVESTMENTS, S.A. (PT) | 2021-10-07 | — | — | US | disclosed |