⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17622840 | 0.74 | — | — | |
| SCHEMBL13187108 | 0.74 | — | — | |
| SCHEMBL23337590 | 0.72 | — | — | |
| SCHEMBL18723448 | 0.65 | — | — | |
| SCHEMBL8356542 | 0.63 | — | — | |
| SCHEMBL20821435 | 0.63 | — | — | |
| SCHEMBL12291972 | 0.63 | — | — | |
| SCHEMBL13876230 | 0.63 | — | — | |
| SCHEMBL25483538 | 0.61 | ADH1B (0.37) | — | |
| SCHEMBL15988638 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3901151-A1 | HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF | iOmx Therapeutics AG (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2010014611-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-02-04 | — | — | WO | disclosed |