⚠ 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 | |
|---|---|---|---|---|
| Achn-975 SCHEMBL13738093 | 0.91 | — | — | |
| Achn-975 SCHEMBL13737979 | 0.91 | — | — | |
| Achn-975 SCHEMBL14780481 | 0.91 | — | — | |
| Achn-975 SCHEMBL13737986 | 0.91 | — | — | |
| Achn-975 SCHEMBL13738077 | 0.91 | — | — | |
| Achn-975 SCHEMBL13738089 | 0.91 | — | — | |
| SCHEMBL13831123 | 0.89 | ACACB (0.33) | — | |
| SCHEMBL13832382 | 0.89 | ACACB (0.33) | — | |
| Hydrochloric Acid SCHEMBL13738426 | 0.88 | ACACB (0.32) | — | |
| Hydrochloric Acid SCHEMBL13738425 | 0.88 | ACACB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150203444-A1 | POLYMORPHS OF N-((S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-4-(((1R,2R)-2-(HYDROXYMETHYL)CYCLOPROPYL)BUTA-1,3-DIYNYL)BENZAMIDE | ACHAOGEN, INC. (US) | 2015-07-23 | — | — | US | disclosed |