⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1682409 | 1.00 | — | — | |
| SCHEMBL18773241 | 0.76 | MET (0.35) | — | |
| SCHEMBL23457288 | 0.73 | — | — | |
| SCHEMBL7679714 | 0.71 | — | — | |
| SCHEMBL332480 | 0.71 | — | — | |
| SCHEMBL21657875 | 0.70 | MET (0.32) | — | |
| SCHEMBL14048787 | 0.70 | — | — | |
| SCHEMBL4427692 | 0.69 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL17499723 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL19442043 | 0.66 | ALDH1A1 (0.43) | — |
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-2020021024-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) | PHENEX PHARMACEUTICALS AG (DE) | 2020-01-30 | — | — | WO | disclosed |
| WO-2017031276-A1 | METHODS OF PROVIDING NEUROPROTECTIVE THERAPY RELATED TO ADMINISTERING AN ESTROGEN RECEPTOR BETA LIGAND | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-02-23 | — | — | WO | disclosed |