⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5347834 | 0.97 | ALDH1A1 (0.40) | — | |
| SCHEMBL5346809 | 0.97 | ALDH1A1 (0.40) | — | |
| SCHEMBL5335340 | 0.94 | — | — | |
| SCHEMBL3840377 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL1170206 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL2154404 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL2154595 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL24819074 | 0.72 | — | — | |
| SCHEMBL2292115 | 0.72 | — | — | |
| SCHEMBL101752 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4760158-A | Cyclic halonitriles | JOHN WYETH & BROTHER LIMITED (GB) | 1988-07-26 | — | — | US | claimed |
| 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 |
| EP-0240176-B1 | SUBSTITUTED PYRIMIDOINDOLES | JOHN WYETH & BROTHER LIMITED (GB) | 1990-11-22 | — | — | EP | disclosed |
| US-4803207-A | Hypoglycemic 2',3',10'-tetrahydro-10'-hydroxy-10'-substituted-spiro[cycloakane-1,3'-pyrimido(1,2-a)indole]deratives | JOHN WYETH & BROTHER LTD. (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4760158-A | Cyclic halonitriles | JOHN WYETH & BROTHER LIMITED (GB) | 1988-07-26 | — | — | US | disclosed |
| EP-0240176-A1 | Substituted pyrimidoindoles | JOHN WYETH & BROTHER LIMITED (GB) | 1987-10-07 | — | — | EP | disclosed |