⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14769577 | 0.79 | CA1 (0.52) | — | |
| SCHEMBL14769580 | 0.75 | CA2 (0.56) | — | |
| SCHEMBL777408 | 0.74 | — | — | |
| SCHEMBL14769579 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL21799390 | 0.72 | — | — | |
| SCHEMBL12256258 | 0.72 | PPARA (0.55) | — | |
| SCHEMBL12256312 | 0.72 | PPARA (0.55) | — | |
| SCHEMBL23872670 | 0.70 | — | — | |
| SCHEMBL2006632 | 0.70 | GRIA1 (0.36) | — | |
| SCHEMBL31613221 | 0.69 | CYP3A4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023115150-A1 | BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS | Anaxis Pharma Pty Ltd (AU) | 2023-06-29 | — | — | WO | disclosed |
| EP-3150600-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | Medshine Discovery Inc. (CN) | 2017-04-05 | — | — | EP | disclosed |
| US-20130065180-A1 | RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN | TOKYO OHKA KOGYO CO., LTD. (JP) | 2013-03-14 | — | — | US | disclosed |