⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21637658 | 0.72 | — | — | |
| SCHEMBL21100053 | 0.70 | — | — | |
| SCHEMBL6724092 | 0.69 | — | — | |
| SCHEMBL21204998 | 0.68 | — | — | |
| SCHEMBL12332914 | 0.61 | — | — | |
| SCHEMBL16590478 | 0.58 | — | — | |
| SCHEMBL15295818 | 0.58 | — | — | |
| SCHEMBL25119294 | 0.57 | — | — | |
| SCHEMBL15020100 | 0.57 | — | — | |
| SCHEMBL12037133 | 0.55 | KEAP1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976327-B1 | 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | Bayer Pharma AG (DE) | 2017-06-21 | — | — | EP | disclosed |