⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2898551 | 0.85 | KCNH2 (0.40) | — | |
| SCHEMBL2898552 | 0.85 | KCNH2 (0.40) | — | |
| SCHEMBL2898547 | 0.80 | ADRB2 (0.38) | — | |
| SCHEMBL2898546 | 0.80 | ADRB2 (0.38) | — | |
| SCHEMBL4994704 | 0.80 | ADRB2 (0.38) | — | |
| SCHEMBL4994713 | 0.79 | — | — | |
| SCHEMBL12673661 | 0.74 | KCNH2 (0.41) | — | |
| SCHEMBL12665504 | 0.74 | KCNH2 (0.43) | — | |
| SCHEMBL7497106 | 0.73 | GSK3B (0.41) | — | |
| SCHEMBL7498463 | 0.72 | KDM4E (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7371868-B2 | Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-05-13 | — | — | US | disclosed |
| US-20070225506-A1 | PROCESSES FOR PRODUCING 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE, AS WELL AS SALT OF 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE, ITS HYDRATE AND COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-09-27 | — | — | US | disclosed |