⚠ 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 SCHEMBL4231449 | 0.98 | — | — | |
| SCHEMBL4235241 | 0.76 | AKR1C3 (0.35) | — | |
| SCHEMBL6610249 | 0.70 | AKR1C3 (0.32) | — | |
| SCHEMBL4541454 | 0.66 | PTGS2 (0.34) | — | |
| SCHEMBL4789993 | 0.63 | TSHR (0.34) | — | |
| SCHEMBL44691 | 0.59 | HDAC4 (0.35) | — | |
| SCHEMBL4741169 | 0.59 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL367889 | 0.58 | HSD17B10 (0.31) | — | |
| SCHEMBL6896355 | 0.58 | — | — | |
| SCHEMBL12294410 | 0.58 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1592421-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | Pharmacia Corporation (US) | 2005-11-09 | — | — | EP | claimed |
| WO-2004058254-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | claimed |
| EP-1289983-A2 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | Pharmacia Corporation (US) | 2003-03-12 | — | — | EP | claimed |
| WO-2001096334-A2 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2001-12-20 | — | — | WO | claimed |
| WO-2009061448-A9 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES | THE GENERAL HOSPITAL CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |
| EP-1592421-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | Pharmacia Corporation (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004058254-A1 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |
| EP-1289983-A2 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | Pharmacia Corporation (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001096334-A2 | HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS | PHARMACIA CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |