⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4436865 | 0.90 | — | — | |
| SCHEMBL9930731 | 0.86 | IDO1 (0.32) | — | |
| SCHEMBL9930645 | 0.85 | SCN9A (0.32) | — | |
| SCHEMBL14069306 | 0.85 | SCN9A (0.32) | — | |
| SCHEMBL14069673 | 0.84 | — | — | |
| SCHEMBL9929996 | 0.84 | — | — | |
| SCHEMBL14069810 | 0.84 | — | — | |
| SCHEMBL9930703 | 0.81 | — | — | |
| SCHEMBL9929976 | 0.79 | CYP2E1 (0.39) | — | |
| SCHEMBL9964686 | 0.75 | MAOA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120157434-A1 | Antimicrobial heterocyclic compounds for treatment of bacterial infections | CSO of MicuRx Pharmaceuticals, Inc. | 2012-06-21 | — | — | US | disclosed |