⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29736792 | 0.99 | — | — | |
| SCHEMBL24583591 | 0.94 | CTSL (0.44) | — | |
| Hydrochloric Acid SCHEMBL29736845 | 0.93 | CTSL (0.44) | — | |
| SCHEMBL26922787 | 0.87 | CCR2 (0.35) | — | |
| SCHEMBL26922780 | 0.87 | CCR2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL26922663 | 0.86 | CCR2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL26922675 | 0.86 | CCR2 (0.34) | — | |
| SCHEMBL19605950 | 0.86 | CTSB (0.43) | — | |
| SCHEMBL24582974 | 0.82 | CTSL (0.41) | — | |
| SCHEMBL24583793 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022133588-A1 | RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2022-06-30 | — | — | WO | disclosed |
| US-20220204476-A1 | RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2022-06-30 | — | — | US | disclosed |