⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16451668 | 0.87 | USP2 (0.43) | — | |
| SCHEMBL20280308 | 0.84 | — | — | |
| SCHEMBL19369173 | 0.77 | — | — | |
| SCHEMBL13819881 | 0.72 | EPHX1 (0.31) | — | |
| SCHEMBL9889056 | 0.70 | — | — | |
| SCHEMBL23334359 | 0.70 | — | — | |
| SCHEMBL15183672 | 0.69 | — | — | |
| SCHEMBL16260508 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL15346368 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL15346489 | 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 |
|---|---|---|---|---|---|---|---|
| US-20210246115-A1 | ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF | BIOIMICS AB (SE) | 2021-08-12 | — | — | US | disclosed |