⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16840400 | 1.00 | — | — | |
| SCHEMBL16820777 | 1.00 | — | — | |
| SCHEMBL16820776 | 1.00 | — | — | |
| SCHEMBL16820846 | 1.00 | — | — | |
| SCHEMBL16821105 | 0.92 | TAS1R3 (0.32) | — | |
| SCHEMBL16843266 | 0.92 | TAS1R3 (0.32) | — | |
| SCHEMBL16840402 | 0.92 | TAS1R3 (0.32) | — | |
| SCHEMBL16821106 | 0.92 | TAS1R3 (0.32) | — | |
| SCHEMBL16843258 | 0.90 | P2RY6 (0.31) | — | |
| SCHEMBL16840432 | 0.86 | TAS1R3 (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 |
|---|---|---|---|---|---|---|---|
| US-20150175530-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2015-06-25 | — | — | US | disclosed |
| US-20150175530-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2015-06-25 | — | — | US | disclosed |