⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20782293 | 0.84 | — | — | |
| SCHEMBL9918265 | 0.78 | — | — | |
| SCHEMBL9918185 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL9918266 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL15944144 | 0.73 | — | — | |
| SCHEMBL9918261 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL9918264 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL17276922 | 0.71 | — | — | |
| SCHEMBL17276921 | 0.71 | — | — | |
| SCHEMBL9918180 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10947254-B2 | Methods for treating ulcerative colitis using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-03-16 | — | — | US | disclosed |
| US-20200040010-A1 | NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-02-06 | — | — | US | disclosed |