⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3009662 | 0.58 | — | — | |
| SCHEMBL17581115 | 0.52 | — | — | |
| SCHEMBL10954159 | 0.47 | TP53 (0.32) | — | |
| SCHEMBL17311841 | 0.47 | — | — | |
| SCHEMBL337074 | 0.43 | — | — | |
| SCHEMBL23803165 | 0.42 | — | — | |
| SCHEMBL22716012 | 0.42 | — | — | |
| SCHEMBL22116200 | 0.41 | — | — | |
| SCHEMBL28806252 | 0.41 | PTGS2 (0.48) | — | |
| SCHEMBL36295 | 0.41 | TP53 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414328-B1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA (CH) | 2021-05-26 | — | — | EP | disclosed |
| CN-101842375-A | Process for preparing TEDA derivatives | BASF SE | 2010-09-22 | — | — | CN | disclosed |
| US-20100204438-A1 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-2197882-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | Basf Se (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009030649-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2009-03-12 | — | — | WO | disclosed |