⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4287559 | 0.65 | PDE10A (0.44) | — | |
| SCHEMBL197055 | 0.65 | — | — | |
| SCHEMBL11877328 | 0.65 | — | — | |
| SCHEMBL29876207 | 0.64 | — | — | |
| SCHEMBL8465809 | 0.64 | CASP1 (0.50) | — | |
| SCHEMBL9579151 | 0.64 | CASP1 (0.50) | — | |
| SCHEMBL25853 | 0.64 | — | — | |
| SCHEMBL29900242 | 0.64 | — | — | |
| SCHEMBL29485005 | 0.64 | — | — | |
| SCHEMBL8356506 | 0.64 | CASP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1065862-C | N- (2-amino-4, 6-dichloropyrimidin-5-yl) formamide and preparation method thereof | LONZA AG (CH) | 2001-05-16 | — | — | CN | claimed |
| CN-109963852-B | Oxoisoquinoline derivatives | 卡尔那生物科学株式会社 | 2021-12-03 | — | — | CN | disclosed |
| EP-1919482-A1 | PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007024789-A1 | PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON GENETICS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |