⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17895774 | 0.90 | CRHBP (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL17895971 | 0.85 | LMNA (0.30) | — | |
| SCHEMBL17895899 | 0.82 | LMNA (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL17895773 | 0.75 | CRHBP (0.35) | — | |
| SCHEMBL17895779 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL17895905 | 0.73 | LMNA (0.34) | — | |
| SCHEMBL17896078 | 0.72 | HTT (0.34) | — | |
| SCHEMBL17895829 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL17896285 | 0.72 | CRHBP (0.38) | — | |
| SCHEMBL17896153 | 0.72 | LMNA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |