⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL516541 | 0.85 | — | — | |
| SCHEMBL516542 | 0.85 | — | — | |
| SCHEMBL12361216 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL23341475 | 0.82 | — | — | |
| SCHEMBL7855663 | 0.81 | — | — | |
| SCHEMBL7853102 | 0.81 | EPAS1 (0.32) | — | |
| SCHEMBL22589204 | 0.81 | — | — | |
| SCHEMBL24033198 | 0.81 | CCR5 (0.35) | — | |
| SCHEMBL4903859 | 0.80 | — | — | |
| SCHEMBL31610192 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11186591-B2 | Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines | UNIVERSITÄT BASEL (CH) | 2021-11-30 | — | — | US | disclosed |
| US-20200277304-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | TORQUR AG (CH) | 2020-09-03 | — | — | US | 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 |