⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5705964 | 0.86 | — | — | |
| SCHEMBL4543044 | 0.84 | — | — | |
| SCHEMBL4542340 | 0.80 | — | — | |
| SCHEMBL4542330 | 0.78 | — | — | |
| SCHEMBL4421772 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7219443 | 0.76 | MAOA (0.48) | — | |
| SCHEMBL1569882 | 0.75 | — | — | |
| SCHEMBL2004909 | 0.75 | — | — | |
| SCHEMBL1515131 | 0.71 | MAOA (0.31) | — | |
| SCHEMBL1199910 | 0.71 | — | — |
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-0614664-B2 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | claimed |
| EP-0614664-B1 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-09-16 | — | — | EP | claimed |
| WO-2009071691-A2 | OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION | ABBOTT GMBH & CO. KG (DE) | 2009-06-11 | — | — | WO | disclosed |