⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8790346 | 0.93 | KMT2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL8792432 | 0.91 | KMT2A (0.41) | — | |
| SCHEMBL12947562 | 0.80 | — | — | |
| SCHEMBL19320670 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL12947620 | 0.80 | — | — | |
| SCHEMBL8981710 | 0.77 | HDAC8 (0.38) | — | |
| SCHEMBL8981701 | 0.77 | HDAC8 (0.38) | — | |
| SCHEMBL14252713 | 0.77 | HDAC8 (0.38) | — | |
| SCHEMBL3745411 | 0.74 | HTT (0.36) | — | |
| SCHEMBL3710481 | 0.74 | KMT2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2892900-B1 | PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2013025628-A1 | JANUS KINASE INHIBITOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2013-02-21 | — | — | WO | disclosed |