⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL611251 | 1.00 | — | — | |
| SCHEMBL16386242 | 1.00 | — | — | |
| SCHEMBL7998790 | 0.92 | — | — | |
| SCHEMBL601381 | 0.79 | — | — | |
| SCHEMBL15683009 | 0.74 | — | — | |
| SCHEMBL15325919 | 0.74 | — | — | |
| SCHEMBL12647014 | 0.74 | — | — | |
| SCHEMBL22342255 | 0.74 | — | — | |
| SCHEMBL20006587 | 0.72 | — | — | |
| SCHEMBL175993 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8921368-B2 | Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-12-30 | — | — | US | disclosed |
| US-20140011795-A1 | PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | BRISTOL-MYERS SQUIBB COMPANY | 2014-01-09 | — | — | US | disclosed |