⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18344250 | 0.87 | — | — | |
| SCHEMBL18344085 | 0.86 | — | — | |
| SCHEMBL29364533 | 0.86 | — | — | |
| SCHEMBL20296779 | 0.84 | CNR2 (0.44) | — | |
| SCHEMBL18344030 | 0.84 | — | — | |
| SCHEMBL18344210 | 0.83 | — | — | |
| SCHEMBL18344111 | 0.82 | — | — | |
| SCHEMBL20296653 | 0.79 | — | — | |
| SCHEMBL14403272 | 0.78 | — | — | |
| SCHEMBL18344232 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3310767-B1 | 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2020-07-22 | — | — | EP | disclosed |
| US-10584118-B2 | NADPH oxidase 4 inhibitors | ACTELION PHARMACEUTICALS LTD (CH) | 2020-03-10 | — | — | US | disclosed |
| US-20180179194-A1 | NADPH OXIDASE 4 INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2018-06-28 | — | — | US | disclosed |