⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19831462 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL25666985 | 0.78 | — | — | |
| SCHEMBL7589425 | 0.77 | GRIK1 (0.34) | — | |
| SCHEMBL29328248 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL12983026 | 0.77 | PLA2G1B (0.35) | — | |
| SCHEMBL16511402 | 0.76 | — | — | |
| SCHEMBL11997225 | 0.73 | DPP4 (0.34) | — | |
| SCHEMBL24046735 | 0.72 | — | — | |
| SCHEMBL14050105 | 0.71 | — | — | |
| SCHEMBL28673808 | 0.71 | SLC1A2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1079744-A | 7-oxo-7H-pyrido [1,2,3 ,-d, e] [1,4] benzoxazine-6-carboxylic acids and ester thereof | BAYER AG (DE) | 1993-12-22 | — | — | CN | disclosed |
| EP-0563732-A1 | 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |
| US-4118439-A | IONICALLY CROSSLINKED QUATERNARY AMMONIUM POLYMER | RHONE-POULENC S.A. (FR) | 1978-10-03 | — | — | US | disclosed |