⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL733705 | 0.76 | — | — | |
| SCHEMBL2166031 | 0.72 | — | — | |
| SCHEMBL1936762 | 0.70 | — | — | |
| SCHEMBL27761736 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL12855787 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL184319 | 0.68 | — | — | |
| SCHEMBL9687206 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL9687211 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL13701413 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL8076657 | 0.66 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| US-20100286181-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | claimed |
| EP-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | claimed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | claimed |
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| EP-2331533-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| US-20100286181-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | disclosed |
| WO-2010025850-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |