⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13245114 | 1.00 | — | — | |
| SCHEMBL13245189 | 0.89 | HDAC1 (0.41) | — | |
| SCHEMBL405241 | 0.89 | — | — | |
| SCHEMBL3013561 | 0.88 | TAS1R3 (0.43) | — | |
| SCHEMBL3013566 | 0.88 | TAS1R3 (0.43) | — | |
| SCHEMBL3013565 | 0.88 | TAS1R3 (0.43) | — | |
| SCHEMBL438478 | 0.87 | — | — | |
| SCHEMBL13245301 | 0.86 | HDAC1 (0.43) | — | |
| SCHEMBL13245131 | 0.86 | HDAC1 (0.43) | — | |
| SCHEMBL13984570 | 0.85 | HDAC8 (0.41) | — |
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-9617256-B2 | Antibacterial agents | ACHAOGEN, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| EP-2170814-B1 | ANTIBACTERIAL AGENTS | ACHAOGEN INC (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-2662353-A2 | Antibacterial agents | Achaogen, Inc. (US) | 2013-11-13 | — | — | EP | disclosed |
| US-20100190766-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. (US) | 2010-07-29 | — | — | US | disclosed |