⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1647676 | 0.75 | — | — | |
| SCHEMBL1680480 | 0.74 | — | — | |
| SCHEMBL29857 | 0.74 | — | — | |
| SCHEMBL1680475 | 0.74 | — | — | |
| SCHEMBL577440 | 0.74 | — | — | |
| SCHEMBL1680479 | 0.74 | — | — | |
| SCHEMBL269126 | 0.74 | — | — | |
| SCHEMBL461534 | 0.74 | — | — | |
| SCHEMBL10335928 | 0.74 | — | — | |
| SCHEMBL5333184 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106046183-B | A kind of iodo-methyl triazole starch of niacinamide-containing base and its preparation method and application | 中国科学院烟台海岸带研究所 | 2018-04-06 | — | — | CN | claimed |
| CN-106046183-A | Iodomethyltriazole starch containing a nicotinamide group, and a preparing method and applications thereof | 中国科学院烟台海岸带研究所 | 2016-10-26 | — | — | CN | claimed |
| CN-106046183-B | A kind of iodo-methyl triazole starch of niacinamide-containing base and its preparation method and application | 中国科学院烟台海岸带研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-106046183-B | A kind of iodo-methyl triazole starch of niacinamide-containing base and its preparation method and application | 中国科学院烟台海岸带研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-106046183-B | A kind of iodo-methyl triazole starch of niacinamide-containing base and its preparation method and application | 中国科学院烟台海岸带研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-106046183-A | Iodomethyltriazole starch containing a nicotinamide group, and a preparing method and applications thereof | 中国科学院烟台海岸带研究所 | 2016-10-26 | — | — | CN | disclosed |
| CN-106046183-A | Iodomethyltriazole starch containing a nicotinamide group, and a preparing method and applications thereof | 中国科学院烟台海岸带研究所 | 2016-10-26 | — | — | CN | disclosed |
| CN-106046183-A | Iodomethyltriazole starch containing a nicotinamide group, and a preparing method and applications thereof | 中国科学院烟台海岸带研究所 | 2016-10-26 | — | — | CN | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |