⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4823250 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6479659 | 0.97 | ALDH1A1 (0.37) | — | |
| Cyanide SCHEMBL4330174 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL17474716 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL65860 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL7401483 | 0.87 | GABBR2 (0.34) | — | |
| SCHEMBL20912433 | 0.81 | LMNA (0.63) | — | |
| SCHEMBL21925755 | 0.81 | LMNA (0.63) | — | |
| SCHEMBL23340759 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL9945681 | 0.81 | LMNA (0.63) | — |
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-11826357-B2 | Bacterial efflux pump inhibitors | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2023-11-28 | — | — | US | disclosed |
| EP-3820846-A1 | COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER | Ecolab USA, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |