⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29156987 | 0.86 | GRM2 (0.32) | — | |
| SCHEMBL3860387 | 0.86 | GRM2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL21670172 | 0.84 | GRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL21670173 | 0.84 | GRM2 (0.31) | — | |
| SCHEMBL22081763 | 0.80 | — | — | |
| SCHEMBL22081841 | 0.80 | — | — | |
| SCHEMBL24355234 | 0.78 | — | — | |
| SCHEMBL24355231 | 0.78 | — | — | |
| SCHEMBL9287937 | 0.78 | — | — | |
| SCHEMBL24355235 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011044538-A9 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| WO-2010132760-A9 | ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN | ACHAOGEN, INC. (US) | 2011-11-03 | — | — | WO | disclosed |
| WO-2010132839-A9 | AMINOGLYCOSIDE DOSING REGIMENS | ACHAOGEN, INC. (US) | 2011-09-15 | — | — | WO | disclosed |
| WO-2010132760-A1 | ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN | ACHAOGEN, INC. (US) | 2010-11-18 | — | — | WO | disclosed |