⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20758116 | 1.00 | — | — | |
| SCHEMBL1752089 | 1.00 | — | — | |
| SCHEMBL7610543 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL653873 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL18085360 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL16655069 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL5134771 | 0.81 | — | — | |
| SCHEMBL3303397 | 0.80 | LMNA (0.43) | — | |
| SCHEMBL17099795 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL18086894 | 0.79 | ALDH1A1 (0.35) | — |
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-10556854-B2 | Bacterial efflux pump inhibitors | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-02-11 | — | — | US | disclosed |
| US-20190084919-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-03-21 | — | — | US | disclosed |