⚠ 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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL8341230 | 0.91 | — | — | |
| Ethylamine SCHEMBL2413035 | 0.85 | — | — | |
| Ethyl Chloride SCHEMBL28186991 | 0.80 | — | — | |
| Ethylamine SCHEMBL2718391 | 0.80 | — | — | |
| Ethylamine SCHEMBL28860274 | 0.80 | — | — | |
| Methylene Chloride SCHEMBL992285 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL3199266 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL7090995 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL292514 | 0.80 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL4933917 | 0.80 | ALDH1A1 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7642276-B2 | Fused heteroaryl derivatives for use as P38 kinase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2010-01-05 | — | — | US | disclosed |
| EP-1531812-B1 | FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS | SMITHKLINE BEECHAM CORP (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20060122221-A1 | Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis | SMITHKLINE BEECHAM CORPORATION | 2006-06-08 | — | — | US | disclosed |
| EP-1531812-A1 | FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004010995-A1 | FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |