⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13133627 | 0.78 | MAPT (0.43) | — | |
| SCHEMBL2840015 | 0.77 | TP53 (0.34) | — | |
| SCHEMBL28860294 | 0.74 | MAPT (0.37) | — | |
| SCHEMBL1138452 | 0.73 | — | — | |
| Bromide SCHEMBL28409371 | 0.72 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29061502 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL2841240 | 0.71 | APP (0.36) | — | |
| SCHEMBL27427767 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL9387470 | 0.71 | SLC22A6 (0.37) | — | |
| SCHEMBL10624529 | 0.71 | SLC22A6 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013040527-A1 | ANTIMICROBIAL COMPOUNDS | MICROBIOTIX, INC. (US) | 2013-03-21 | — | — | WO | disclosed |
| WO-2010056914-A1 | BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF | MICROBIOTIX, INC. (US) | 2010-05-20 | — | — | WO | disclosed |
| EP-1406494-B1 | BACTERICIDAL COMPOSITION COMPRISING POLYLYSIN AND PLANT NATURAL OILS | KAO CORP (JP) | 2008-05-14 | — | — | EP | disclosed |
| US-6921745-B2 | Bactericidal composition comprising polylysine and a plant essential oil | KAO CORPORATION (JP) | 2005-07-26 | — | — | US | disclosed |
| US-20040132630-A1 | Bactericide comoposition | KAO CORPORATION (JP) | 2004-07-08 | — | — | US | disclosed |