⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17489070 | 0.80 | — | — | |
| SCHEMBL19604872 | 0.77 | — | — | |
| SCHEMBL11023883 | 0.71 | MAOA (0.35) | — | |
| SCHEMBL22859544 | 0.71 | — | — | |
| SCHEMBL12890639 | 0.68 | — | — | |
| SCHEMBL26529612 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL27709027 | 0.67 | — | — | |
| SCHEMBL2702124 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27804225 | 0.65 | — | — | |
| SCHEMBL3413290 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010132757-A9 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2011-08-25 | — | — | WO | disclosed |