⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240621 | 0.92 | — | — | |
| SCHEMBL486074 | 0.92 | — | — | |
| SCHEMBL6369964 | 0.84 | — | — | |
| SCHEMBL2784496 | 0.84 | — | — | |
| SCHEMBL522287 | 0.84 | — | — | |
| SCHEMBL2784494 | 0.84 | — | — | |
| SCHEMBL2784951 | 0.84 | — | — | |
| SCHEMBL6398036 | 0.74 | — | — | |
| SCHEMBL11621944 | 0.70 | — | — | |
| SCHEMBL43289 | 0.69 | — | — |
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 23 patents — showing the first 20. 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 |
| US-6740654-B2 | INHIBIT THE BINDING OF INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS, OR DISORDERS INVOLVING THE INAPPROPRIATE GROWTH OR MIGRATION OF CELLS. | CELLTECH R & D LIMITED (GB) | 2004-05-25 | — | — | US | disclosed |
| EP-1337534-A1 | 3-SUBSTITUTED 2,7-NAPHTHYRIDIN-1-YL DERIVATIVES | Celltech R & D Limited (GB) | 2003-08-27 | — | — | EP | disclosed |
| US-6593338-B2 | Inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. | CELLTECH R&D LIMITED (GB) | 2003-07-15 | — | — | US | disclosed |
| EP-1301488-A1 | SQUARIC ACID DERIVATIVES CONTAINING A BICYCLIC HETEROAROMATIC RING AS INTEGRIN ANTAGONISTS | Celltech R&D Limited (GB) | 2003-04-16 | — | — | EP | disclosed |
| US-6545013-B2 | Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. | CELLTECH R&D LIMITED (GB) | 2003-04-08 | — | — | US | disclosed |
| EP-1286995-A1 | 2,7-NAPHTHYRIDINE DERIVATIVES | Celltech R&D Limited (GB) | 2003-03-05 | — | — | EP | disclosed |
| EP-1284967-A1 | 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES | Celltech R&D Limited (GB) | 2003-02-26 | — | — | EP | disclosed |
| US-20020177605-A1 | 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES | CELLTECH R&D, LTD. (GB) | 2002-11-28 | — | — | US | disclosed |
| US-6469025-B1 | FOR THE PROPHYLAXIS OR TREATMENT OF A DISEASE OR DISORDER IN A MAMMAL IN WHICH THE EXTRAVASATION OF LEUKOCYTES PLAYS A ROLE; INHIBITING THE BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS | CELLTECH R&D LTD. (GB) | 2002-10-22 | — | — | US | disclosed |
| US-20020115684-A1 | 2, 7-naphthyridine derivatives | CELLTECH R&D, LTD. (GB) | 2002-08-22 | — | — | US | disclosed |
| US-20020107263-A1 | Squaric acid derivatives | CELLTECH R&D, LTD. (GB) | 2002-08-08 | — | — | US | disclosed |
| US-6403608-B1 | ANTIINFLAMMATORY AND IMMUNE DISORDERS | CELLTECH R&D, LTD. (GB) | 2002-06-11 | — | — | US | disclosed |
| WO-2002042264-A1 | 3-SUBSTITUTED 2,7-NAPHTHYRIDIN-1-YL DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002004426-A1 | SQUARIC ACID DERIVATIVES CONTAINING A BICYCLIC HETEROAROMATIC RING AS INTEGRIN ANTAGONISTS | CELLTECH R & D LIMITED (GB) | 2002-01-17 | — | — | WO | disclosed |
| WO-2001092256-A1 | 2,7-NAPHTHYRIDINE DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2001-12-06 | — | — | WO | disclosed |
| WO-2001092233-A1 | 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2001-12-06 | — | — | WO | 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 |
| US-4009208-A | N,N'-HEPTAMETHYLENEBIS(4-METHOXYBENZAMIDE) | STERLING DRUG INC. (US) | 1977-02-22 | — | — | US | disclosed |