⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9589480 | 0.89 | ABCC9 (0.32) | — | |
| SCHEMBL9592181 | 0.89 | ABCC9 (0.32) | — | |
| SCHEMBL9592438 | 0.88 | ABCC9 (0.31) | — | |
| SCHEMBL9589950 | 0.88 | ABCC9 (0.31) | — | |
| SCHEMBL9591384 | 0.83 | ABCB1 (0.34) | — | |
| SCHEMBL9590283 | 0.83 | ABCB1 (0.34) | — | |
| SCHEMBL9590766 | 0.74 | ABCB1 (0.34) | — | |
| SCHEMBL9591149 | 0.74 | ABCC9 (0.35) | — | |
| SCHEMBL9589199 | 0.74 | ABCB1 (0.35) | — | |
| SCHEMBL9590164 | 0.73 | ABCB1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5272271-A | Pyranobenzoxadiazole derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-21 | — | — | US | disclosed |