⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL733109 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL7079859 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL17085515 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL2008316 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL2008314 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL732071 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL7876608 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL3237384 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL14062955 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL993563 | 0.71 | TSHR (0.39) | — |
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-2346855-B1 | PROCESS FOR MAKING QUINOLONE COMPOUNDS | MELINTA THERAPEUTICS INC (US) | 2017-04-05 | — | — | EP | disclosed |