⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7418982 | 0.85 | — | — | |
| SCHEMBL734610 | 0.72 | ALDH1A3 (0.32) | — | |
| SCHEMBL14164413 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2211653 | 0.67 | — | — | |
| SCHEMBL1057083 | 0.64 | — | — | |
| SCHEMBL15468476 | 0.64 | ICAM1 (0.30) | — | |
| SCHEMBL2210513 | 0.63 | — | — | |
| SCHEMBL22331762 | 0.63 | SLC29A1 (0.34) | — | |
| SCHEMBL16803983 | 0.63 | ABCB1 (0.31) | — | |
| SCHEMBL737196 | 0.63 | ABCB1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244611-B1 | SQUARIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | CELLTECH R&D LTD (GB) | 2004-06-30 | — | — | EP | disclosed |
| EP-1244611-A1 | SQUARIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | Celltech R&D Limited (GB) | 2002-10-02 | — | — | EP | disclosed |
| US-6455539-B2 | AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATORY AGENTS | CELLTECH R&D LIMITED (GB) | 2002-09-24 | — | — | US | disclosed |
| US-20010020017-A1 | Squaric acid derivatives | CELLTECH R&D LIMITED (GB) | 2001-09-06 | — | — | US | disclosed |
| WO-2001047867-A1 | SQUARIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | CELLTECH R & D LIMITED (GB) | 2001-07-05 | — | — | WO | disclosed |