⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6184763 | 0.94 | — | — | |
| SCHEMBL9152830 | 0.86 | — | — | |
| SCHEMBL17998042 | 0.78 | — | — | |
| SCHEMBL7140390 | 0.74 | POLB (0.35) | — | |
| SCHEMBL20149221 | 0.72 | — | — | |
| SCHEMBL10961520 | 0.71 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL29126802 | 0.71 | POLB (0.33) | — | |
| SCHEMBL29209087 | 0.71 | — | — | |
| SCHEMBL19017679 | 0.69 | — | — | |
| SCHEMBL4093520 | 0.68 | — | — |
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-2023122078-A1 | HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2023-06-29 | — | — | WO | disclosed |