⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630858 | 0.82 | GRIN2D (0.44) | — | |
| SCHEMBL243277 | 0.81 | — | — | |
| SCHEMBL8739934 | 0.80 | PARP1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1193284 | 0.79 | KDM1A (0.39) | — | |
| Hydrochloric Acid SCHEMBL2768799 | 0.79 | KDM1A (0.39) | — | |
| SCHEMBL29561513 | 0.78 | — | — | |
| SCHEMBL506617 | 0.78 | — | — | |
| SCHEMBL378869 | 0.76 | — | — | |
| SCHEMBL906702 | 0.76 | — | — | |
| SCHEMBL14157117 | 0.76 | — | — |
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-2010011375-A2 | INHIBITORS OF JANUS KINASES | MERCK & CO., INC. (US) | 2010-01-28 | — | — | WO | disclosed |