⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3466163 | 1.00 | — | — | |
| SCHEMBL9921726 | 0.80 | — | — | |
| SCHEMBL9918223 | 0.78 | — | — | |
| SCHEMBL3439413 | 0.77 | CFD (0.32) | — | |
| SCHEMBL2398802 | 0.77 | ROCK1 (0.39) | — | |
| SCHEMBL3465008 | 0.77 | ROCK1 (0.39) | — | |
| SCHEMBL3466550 | 0.77 | ROCK1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL567996 | 0.76 | CFD (0.31) | — | |
| Hydrochloric Acid SCHEMBL567997 | 0.76 | CFD (0.31) | — | |
| SCHEMBL1876650 | 0.75 | ROCK1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2348023-B9 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE HOLDINGS CORP (US) | 2017-03-08 | — | — | EP | disclosed |