⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29317609 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL21417396 | 0.74 | — | — | |
| SCHEMBL21118211 | 0.72 | — | — | |
| SCHEMBL20197458 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL2642969 | 0.69 | — | — | |
| SCHEMBL16052598 | 0.69 | — | — | |
| SCHEMBL20054792 | 0.69 | — | — | |
| SCHEMBL16052595 | 0.69 | — | — | |
| SCHEMBL387347 | 0.69 | — | — | |
| SCHEMBL13781830 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020223728-A1 | SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-11-05 | — | — | WO | disclosed |
| WO-2019057103-A1 | JAK INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION IN THE FIELD OF MEDICINE | 上海华汇拓医药科技有限公司 | 2019-03-28 | — | — | WO | disclosed |