⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31225031 | 1.00 | — | — | |
| SCHEMBL23833592 | 0.81 | — | — | |
| SCHEMBL1826298 | 0.77 | — | — | |
| SCHEMBL29798831 | 0.77 | — | — | |
| SCHEMBL31132356 | 0.75 | — | — | |
| SCHEMBL1231738 | 0.75 | — | — | |
| SCHEMBL5019591 | 0.75 | — | — | |
| SCHEMBL15203394 | 0.75 | — | — | |
| SCHEMBL15759816 | 0.75 | — | — | |
| SCHEMBL14990136 | 0.73 | NNMT (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112209872-A | Synthesis process of 2-bromo-4-iodo-3-methylpyridine | 乐威医药(天津)有限公司 | 2021-01-12 | — | — | CN | disclosed |
| EP-2546253-B1 | SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES | BAYER IP GMBH (DE) | 2015-01-14 | — | — | EP | disclosed |