⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877530 | 0.89 | CCR5 (0.33) | — | |
| SCHEMBL23938261 | 0.79 | — | — | |
| SCHEMBL29959420 | 0.79 | — | — | |
| SCHEMBL31550908 | 0.79 | — | — | |
| SCHEMBL15105115 | 0.78 | — | — | |
| SCHEMBL14671937 | 0.78 | — | — | |
| SCHEMBL15105114 | 0.78 | — | — | |
| SCHEMBL16878718 | 0.78 | CCR5 (0.35) | — | |
| SCHEMBL15399836 | 0.76 | — | — | |
| SCHEMBL15289253 | 0.76 | CCR5 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023274258-A1 | HETEROATOM-SUBSTITUTED AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川大学华西医院 | 2023-01-05 | — | — | WO | disclosed |
| EP-2867238-B1 | PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF | YM BIOSCIENCES AUSTRALIA PTY (AU) | 2017-08-09 | — | — | EP | disclosed |
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |
| EP-2867238-A1 | PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF | YM BioSciences Australia Pty Ltd (AU) | 2015-05-06 | — | — | EP | disclosed |
| US-8809359-B2 | Phenyl amino pyrimidine bicyclic compounds and uses thereof | YM BIOSCIENCES AUSTRALIA PTY LTD (US) | 2014-08-19 | — | — | US | disclosed |
| WO-2014000032-A1 | PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF | YM BIOSCIENCES AUSTRALIA PTY LTD (AU) | 2014-01-03 | — | — | WO | disclosed |
| US-20140005161-A1 | PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF | YM BIOSCIENCES AUSTRALIA PTY LTD (US) | 2014-01-02 | — | — | US | disclosed |