⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1391531 | 0.75 | — | — | |
| SCHEMBL29496142 | 0.74 | — | — | |
| SCHEMBL6446448 | 0.74 | — | — | |
| SCHEMBL21436872 | 0.74 | — | — | |
| SCHEMBL263383 | 0.74 | — | — | |
| SCHEMBL18039094 | 0.74 | — | — | |
| SCHEMBL3059112 | 0.70 | — | — | |
| SCHEMBL503306 | 0.70 | — | — | |
| SCHEMBL18039105 | 0.70 | — | — | |
| SCHEMBL444343 | 0.70 | — | — |
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-2010054278-A2 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2010-05-14 | — | — | WO | disclosed |