⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4088730 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4088739 | 0.99 | — | — | |
| SCHEMBL4095665 | 0.83 | — | — | |
| SCHEMBL4095661 | 0.83 | — | — | |
| SCHEMBL1104636 | 0.83 | — | — | |
| SCHEMBL3299064 | 0.83 | — | — | |
| SCHEMBL1093407 | 0.83 | — | — | |
| SCHEMBL12315102 | 0.83 | — | — | |
| SCHEMBL1093403 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1092739 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015071780-A1 | ALKYLIDINE SUBSTITUTED HETEROCYCLYL DERIVATIVES AS ANTI-BACTERIAL AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-05-21 | — | — | WO | disclosed |
| WO-2014072930-A2 | FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-05-15 | — | — | WO | disclosed |
| US-20090156578-A1 | 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents | DEBIOPHARM INTERNATIONAL SA (CH) | 2009-06-18 | — | — | US | disclosed |
| WO-2007067416-A2 | HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2007-06-14 | — | — | WO | disclosed |