⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1635831 | 0.75 | KMT2A (0.35) | — | |
| SCHEMBL8151949 | 0.70 | EPHX1 (0.41) | — | |
| SCHEMBL3346237 | 0.70 | — | — | |
| SCHEMBL4442007 | 0.70 | — | — | |
| SCHEMBL31673078 | 0.70 | — | — | |
| SCHEMBL4410177 | 0.70 | — | — | |
| SCHEMBL22747454 | 0.70 | — | — | |
| SCHEMBL3199236 | 0.70 | — | — | |
| SCHEMBL254114 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL28302428 | 0.68 | HPGD (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018067422-A1 | NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF | LIANG CONGXIN (US) | 2018-04-12 | — | — | WO | disclosed |