⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23978092 | 0.84 | — | — | |
| SCHEMBL23978093 | 0.81 | TYMP (0.32) | — | |
| SCHEMBL23960261 | 0.74 | — | — | |
| SCHEMBL30632267 | 0.73 | — | — | |
| SCHEMBL23960255 | 0.70 | — | — | |
| SCHEMBL23978211 | 0.69 | — | — | |
| SCHEMBL18790664 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL23927262 | 0.68 | — | — | |
| SCHEMBL23927263 | 0.64 | KEAP1 (0.30) | — | |
| SCHEMBL12431900 | 0.62 | PTGS2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348453-A1 | HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF | IOMX THERAPEUTICS AG (DE) | 2023-11-02 | — | — | US | disclosed |
| WO-2021219731-A2 | BICYCLIC KINASE INHIBITORS AND USES THEREOF | IOMX THERAPEUTICS AG (DE) | 2021-11-04 | — | — | WO | disclosed |
| EP-3901151-A1 | HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF | iOmx Therapeutics AG (DE) | 2021-10-27 | — | — | EP | disclosed |