⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4582765 | 0.82 | — | — | |
| SCHEMBL10197446 | 0.76 | — | — | |
| SCHEMBL21580386 | 0.74 | — | — | |
| SCHEMBL15095816 | 0.74 | — | — | |
| SCHEMBL24355562 | 0.74 | — | — | |
| SCHEMBL8842680 | 0.73 | — | — | |
| SCHEMBL28257618 | 0.73 | GRM4 (0.40) | — | |
| SCHEMBL29156987 | 0.72 | GRM2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL21670173 | 0.71 | GRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL21670172 | 0.71 | GRM2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |