⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27638 | 0.76 | — | — | |
| SCHEMBL1934488 | 0.76 | — | — | |
| Water SCHEMBL2227277 | 0.74 | — | — | |
| SCHEMBL29427258 | 0.73 | — | — | |
| SCHEMBL18281329 | 0.71 | — | — | |
| SCHEMBL18281332 | 0.71 | — | — | |
| SCHEMBL8508689 | 0.67 | — | — | |
| SCHEMBL5888231 | 0.66 | — | — | |
| SCHEMBL18630405 | 0.65 | — | — | |
| Trifluoroacetic Acid SCHEMBL27879413 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103923086-A | Preparation method of 5-alkoxy-1,2,4-triazole[4,5-c]pyrimidine-3(2H)-thioketone | UNIV QILU TECHNOLOGY | 2014-07-16 | — | — | CN | disclosed |
| EP-2523956-A1 | ANTI - INFECTIVE PYRIDO (1,2 -A) PYRIMIDINES | Institut Pasteur Korea (KR) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011085990-A1 | ANTI - INFECTIVE PYRIDO (1,2 -A) PYRIMIDINES | INSTITUT PASTEUR KOREA (KR) | 2011-07-21 | — | — | WO | disclosed |