⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8582933 | 0.80 | — | — | |
| SCHEMBL4722713 | 0.76 | CRHR1 (0.36) | — | |
| SCHEMBL5326540 | 0.75 | — | — | |
| SCHEMBL4630246 | 0.73 | — | — | |
| SCHEMBL4720060 | 0.72 | CACNA2D1 (0.36) | — | |
| SCHEMBL188345 | 0.71 | — | — | |
| SCHEMBL70760 | 0.71 | HSD17B10 (0.44) | — | |
| SCHEMBL5487787 | 0.71 | — | — | |
| SCHEMBL4722927 | 0.71 | TLR8 (0.35) | — | |
| SCHEMBL2067572 | 0.67 | ESR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220153752-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | TORQUR AG (CH) | 2022-05-19 | — | — | US | disclosed |
| US-11186591-B2 | Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines | UNIVERSITÄT BASEL (CH) | 2021-11-30 | — | — | US | disclosed |
| EP-3218358-B1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | PIQUR THERAPEUTICS AG (CH) | 2021-06-16 | — | — | EP | disclosed |
| US-20200277304-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | TORQUR AG (CH) | 2020-09-03 | — | — | US | disclosed |
| US-10640516-B2 | Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines | PIQUR THERAPEUTICS AG (CH) | 2020-05-05 | — | — | US | disclosed |
| US-20190031682-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | TORQUR AG (CH) | 2019-01-31 | — | — | US | disclosed |
| EP-3218358-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | PIQUR Therapeutics AG (CH) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016075130-A1 | DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES | PIQUR THERAPEUTICS AG (CH) | 2016-05-19 | — | — | WO | disclosed |