⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20312955 | 0.87 | CHRM2 (0.31) | — | |
| SCHEMBL18386047 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL12057307 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL22182896 | 0.72 | — | — | |
| SCHEMBL27762151 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL24256512 | 0.69 | CHRM2 (0.34) | — | |
| SCHEMBL11686321 | 0.69 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11686332 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL21919240 | 0.69 | — | — | |
| SCHEMBL1063804 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180179225-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-06-28 | — | — | US | disclosed |
| US-20160367531-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-12-22 | — | — | US | disclosed |
| US-9458150-B2 | Antimicrobial agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150307517-A1 | ANTIMICROBIAL AGENTS | TAXIS PHARMACEUTICALS, INC. (US) | 2015-10-29 | — | — | US | disclosed |
| US-20150133465-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2015-05-14 | — | — | US | disclosed |