⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727485 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5463908 | 0.97 | TRPV1 (0.35) | — | |
| SCHEMBL4795508 | 0.92 | GSR (0.41) | — | |
| SCHEMBL13532953 | 0.92 | GSR (0.41) | — | |
| SCHEMBL3689551 | 0.84 | OPRM1 (0.43) | — | |
| SCHEMBL23166183 | 0.83 | TRPV1 (0.33) | — | |
| SCHEMBL22547019 | 0.83 | TRPV1 (0.33) | — | |
| SCHEMBL995265 | 0.82 | — | — | |
| SCHEMBL10356278 | 0.81 | TRPV1 (0.46) | — | |
| SCHEMBL725910 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11180459-B2 | Bacterial efflux pump inhibitors | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2021-11-23 | — | — | US | disclosed |
| US-20200140393-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) | 2020-05-07 | — | — | US | disclosed |