⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL689143 | 0.79 | — | — | |
| Malonic Acid SCHEMBL23831 | 0.74 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL28221810 | 0.74 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL336 | 0.74 | — | — | |
| Malonic Acid SCHEMBL3358611 | 0.74 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.74 | — | — | |
| Malonic Acid SCHEMBL1332587 | 0.74 | — | — | |
| Malonic Acid SCHEMBL1332554 | 0.74 | — | — | |
| SCHEMBL11570363 | 0.72 | — | — | |
| Malonic Acid SCHEMBL21815640 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871770-A1 | ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS | Kalypsys, Inc. (US) | 2008-01-02 | — | — | EP | disclosed |
| US-20060252807-A1 | Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders | KALYPSYS, INC. | 2006-11-09 | — | — | US | disclosed |
| WO-2006116355-A1 | ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS | KALYPSYS, INC. (US) | 2006-11-02 | — | — | WO | disclosed |