⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4314107 | 1.00 | — | — | |
| SCHEMBL11213133 | 0.82 | ACHE (0.43) | — | |
| SCHEMBL11213136 | 0.82 | ACHE (0.43) | — | |
| SCHEMBL2893103 | 0.79 | ACHE (0.53) | — | |
| SCHEMBL2893106 | 0.79 | ACHE (0.53) | — | |
| SCHEMBL5278909 | 0.77 | GABRP (0.41) | — | |
| Bicarbonate SCHEMBL11398332 | 0.76 | SLC1A3 (0.31) | — | |
| SCHEMBL18300372 | 0.76 | HCAR2 (0.48) | — | |
| SCHEMBL11360506 | 0.76 | HCAR2 (0.48) | — | |
| SCHEMBL4829243 | 0.75 | GABRP (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133882-B2 | Quinolone derivative or pharmaceutically acceptable salt thereof | ASTELLAS PHARMA INC (JP) | 2012-03-13 | — | — | US | disclosed |
| EP-1995240-B1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-4254262-A | IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-03-03 | — | — | US | disclosed |
| US-4163661-A | Phenoxyphenoxy crotonic acid derivatives and herbicidal composition | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1979-08-07 | — | — | US | disclosed |