⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12064270 | 0.80 | — | — | |
| SCHEMBL9934533 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL27573855 | 0.65 | — | — | |
| SCHEMBL11025143 | 0.65 | — | — | |
| SCHEMBL1488437 | 0.64 | — | — | |
| SCHEMBL10193752 | 0.64 | — | — | |
| SCHEMBL10763728 | 0.64 | — | — | |
| SCHEMBL7474269 | 0.59 | — | — | |
| SCHEMBL10531490 | 0.59 | — | — | |
| SCHEMBL12403912 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220185816-A1 | JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE | SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) | 2022-06-16 | — | — | US | disclosed |