⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14756999 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14745769 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL14745767 | 0.99 | — | — | |
| SCHEMBL14745991 | 0.86 | IP6K1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL18628244 | 0.85 | — | — | |
| SCHEMBL14756992 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL17593319 | 0.84 | SLC16A3 (0.32) | — | |
| SCHEMBL14757061 | 0.84 | SLC16A3 (0.32) | — | |
| SCHEMBL17593332 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL17593167 | 0.83 | MAOA (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2750678-B1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS INC (US) | 2017-03-22 | — | — | EP | disclosed |
| WO-2016039938-A1 | POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |