⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5175163 | 0.78 | — | — | |
| SCHEMBL5366133 | 0.74 | — | — | |
| SCHEMBL2616849 | 0.70 | — | — | |
| SCHEMBL1302060 | 0.69 | PKM (0.33) | — | |
| SCHEMBL26111728 | 0.69 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL27173500 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL6326686 | 0.67 | CDK9 (0.33) | — | |
| SCHEMBL8160013 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL96707 | 0.67 | — | — | |
| SCHEMBL18721823 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170029413-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2017-02-02 | — | — | US | disclosed |
| EP-2453496-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE | Konica Minolta Holdings, Inc. (JP) | 2012-05-16 | — | — | EP | disclosed |