⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL809966 | 0.80 | — | — | |
| SCHEMBL16925553 | 0.78 | — | — | |
| SCHEMBL7110378 | 0.76 | LDHA (0.38) | — | |
| SCHEMBL810832 | 0.75 | — | — | |
| SCHEMBL28373691 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL10413543 | 0.74 | SOAT1 (0.38) | — | |
| SCHEMBL810730 | 0.73 | — | — | |
| SCHEMBL134555 | 0.73 | — | — | |
| SCHEMBL1031678 | 0.73 | — | — | |
| SCHEMBL310632 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |