⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5549749 | 0.97 | — | — | |
| SCHEMBL5919540 | 0.84 | — | — | |
| SCHEMBL1905134 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5552990 | 0.80 | — | — | |
| SCHEMBL12802126 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL20061737 | 0.72 | — | — | |
| SCHEMBL4731972 | 0.72 | — | — | |
| SCHEMBL1191441 | 0.72 | — | — | |
| SCHEMBL14853219 | 0.72 | — | — | |
| SCHEMBL8312839 | 0.72 | — | — |
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-6566373-B2 | For therapy of osteoporosis, periodontitis, and arthritis | SMITHKLINE BEECHAM CORPORATION | 2003-05-20 | — | — | US | disclosed |
| US-20020013360-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-01-31 | — | — | US | disclosed |