⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585620 | 0.77 | — | — | |
| SCHEMBL19133532 | 0.76 | — | — | |
| SCHEMBL16049653 | 0.72 | — | — | |
| SCHEMBL81364 | 0.68 | — | — | |
| SCHEMBL5314612 | 0.68 | CYP3A4 (0.41) | — | |
| SCHEMBL11573442 | 0.68 | ALOX15 (0.34) | — | |
| SCHEMBL760452 | 0.67 | — | — | |
| SCHEMBL5918349 | 0.66 | TRPA1 (0.38) | — | |
| SCHEMBL6986496 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL1509972 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922338-A | The pyridine and application method being substituted | 艾伯维公司 | 2018-04-17 | — | — | CN | claimed |
| WO-2019193062-A1 | SUBSTITUTED PYRROLIDINES AND THEIR USE | ABBVIE S.Á.R.L (LU) | 2019-10-10 | — | — | WO | disclosed |
| CN-110036009-A | Substituted pyrrolidines and their use in the treatment of cystic fibrosis | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-110035993-A | SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-109311864-A | Heteroaryl substituted pyridines and methods of use | 艾伯维公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-109219602-A | Modulators of cystic fibrosis transmembrane conductance regulator proteins | 艾伯维公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-107922338-A | The pyridine and application method being substituted | 艾伯维公司 | 2018-04-17 | — | — | CN | disclosed |