⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9230362 | 0.69 | — | — | |
| SCHEMBL17372874 | 0.61 | — | — | |
| SCHEMBL7855237 | 0.56 | ALOX15 (0.42) | — | |
| SCHEMBL29689091 | 0.56 | ALOX15 (0.42) | — | |
| SCHEMBL9008984 | 0.55 | IDO1 (0.40) | — | |
| SCHEMBL5150544 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL28756357 | 0.54 | ALOX15 (0.40) | — | |
| SCHEMBL19511839 | 0.54 | ALDH1A1 (0.39) | — | |
| SCHEMBL2119679 | 0.53 | TSHR (0.35) | — | |
| SCHEMBL1760834 | 0.53 | — | — |
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-2021214117-A1 | HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF | IOMX THERAPEUTICS AG (DE) | 2021-10-28 | — | — | WO | disclosed |
| EP-3901151-A1 | HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF | iOmx Therapeutics AG (DE) | 2021-10-27 | — | — | EP | disclosed |