⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22649348 | 0.67 | — | — | |
| SCHEMBL21887659 | 0.67 | — | — | |
| SCHEMBL2375897 | 0.67 | — | — | |
| SCHEMBL28161197 | 0.67 | — | — | |
| SCHEMBL22056918 | 0.65 | — | — | |
| SCHEMBL1470231 | 0.64 | — | — | |
| SCHEMBL647403 | 0.64 | — | — | |
| SCHEMBL14814504 | 0.61 | — | — | |
| SCHEMBL3342425 | 0.61 | — | — | |
| SCHEMBL82087 | 0.61 | — | — |
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-2016153951-A1 | 5-DEUTERO-THIAZOLIDINYLDIONE COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME | DEUTERX, LLC (US) | 2016-09-29 | — | — | WO | disclosed |
| EP-2559694-A2 | Azaindoles useful as inhibitors of Janus kinases | Vertex Pharmaceuticals, Inc. (US) | 2013-02-20 | — | — | EP | disclosed |