⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10801303 | 0.79 | HDAC8 (0.39) | — | |
| SCHEMBL67850 | 0.73 | — | — | |
| SCHEMBL3030404 | 0.71 | NAAA (0.48) | — | |
| SCHEMBL7661380 | 0.67 | — | — | |
| SCHEMBL9948634 | 0.67 | HSP90AA1 (0.35) | — | |
| SCHEMBL13067193 | 0.67 | — | — | |
| SCHEMBL1016609 | 0.67 | — | — | |
| SCHEMBL239378 | 0.67 | — | — | |
| SCHEMBL2001027 | 0.67 | — | — | |
| SCHEMBL2420743 | 0.67 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222218-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-09-02 | — | — | US | claimed |
| EP-2061319-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | Bayer CropScience AG (DE) | 2009-05-27 | — | — | EP | claimed |
| WO-2008019723-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-02-21 | — | — | WO | claimed |
| US-20100222218-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-09-02 | — | — | US | disclosed |
| EP-2092824-A1 | Heterocyclyl pyrimidines | Bayer CropScience AG (DE) | 2009-08-26 | — | — | EP | disclosed |
| EP-2061319-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | Bayer CropScience AG (DE) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019723-A1 | INSECTICIDAL HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-02-21 | — | — | WO | 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-1305291-A1 | 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES | Celltech R&D Limited (GB) | 2003-05-02 | — | — | 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-20020137935-A1 | 3-Substituted 2,7-naphthyridin-1-yl derivatives | CELLTECH R&D LIMITED (GB) | 2002-09-26 | — | — | US | disclosed |
| WO-2002042264-A1 | 3-SUBSTITUTED 2,7-NAPHTHYRIDIN-1-YL DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002010136-A1 | 3-SUBSTITUTED ISOQUINOLIN-1-YL DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2002-02-07 | — | — | WO | disclosed |