⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9085008 | 0.92 | LPAR3 (0.34) | — | |
| SCHEMBL20918144 | 0.90 | TSHR (0.38) | — | |
| SCHEMBL8440343 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL6242795 | 0.87 | LPAR3 (0.44) | — | |
| SCHEMBL11703769 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL585309 | 0.83 | — | — | |
| SCHEMBL9845432 | 0.81 | — | — | |
| SCHEMBL6344570 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL8705724 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL5161804 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7361743-B2 | Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides | PFIZER INC (US) | 2008-04-22 | — | — | US | disclosed |
| US-7256177-B2 | Lincomycin derivatives possessing antibacterial activity | VICURON PHARMACEUTICALS, INC. (US) | 2007-08-14 | — | — | US | disclosed |
| US-20060148722-A1 | Novel lincomycin derivatives possessing antibacterial activity | VICURON PHARMACEUTICALS INC. (US) | 2006-07-06 | — | — | US | disclosed |
| US-20050215488-A1 | Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides | VICURON PHARMACEUTICALS INC. | 2005-09-29 | — | — | US | disclosed |