⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7510941 | 0.83 | — | — | |
| SCHEMBL2219645 | 0.73 | — | — | |
| SCHEMBL11662304 | 0.73 | OPRM1 (0.42) | — | |
| SCHEMBL25051426 | 0.71 | OPRM1 (0.39) | — | |
| SCHEMBL6129775 | 0.71 | OPRM1 (0.39) | — | |
| SCHEMBL3239831 | 0.71 | KLK7 (0.40) | — | |
| SCHEMBL10416299 | 0.71 | KLK7 (0.40) | — | |
| SCHEMBL28240032 | 0.71 | L3MBTL1 (0.39) | — | |
| SCHEMBL7063455 | 0.70 | — | — | |
| SCHEMBL12981785 | 0.70 | NR5A2 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2310388-A2 | PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS | Institut Pasteur Korea (KR) | 2011-04-20 | — | — | EP | disclosed |
| WO-2010003533-A2 | ANTI-INFECTIVE COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-01-14 | — | — | WO | disclosed |