⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5336977 | 0.94 | — | — | |
| SCHEMBL5347834 | 0.92 | ALDH1A1 (0.40) | — | |
| SCHEMBL5346809 | 0.92 | ALDH1A1 (0.40) | — | |
| SCHEMBL3840377 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL23549092 | 0.72 | — | — | |
| SCHEMBL19093846 | 0.72 | — | — | |
| SCHEMBL4126698 | 0.72 | — | — | |
| SCHEMBL1504251 | 0.72 | — | — | |
| SCHEMBL19096435 | 0.72 | — | — | |
| SCHEMBL16812438 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4245757-A1 | CRYSTAL FORM OF FREE BASE OF INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE AND PREPARATION METHOD AND APPLICATION OF CRYSTAL FORM | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2023-09-20 | — | — | EP | disclosed |
| US-20070270587-A1 | PYRIMIDOINDOLONES AND METHODS FOR USING SAME | WYETH (US) | 2007-11-22 | — | — | US | disclosed |
| US-7256198-B2 | Pyrimidoindolones and methods for using same | WYETH (US) | 2007-08-14 | — | — | US | disclosed |
| US-20050250798-A1 | E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke | WYETH (US) | 2005-11-10 | — | — | US | disclosed |