⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24062637 | 0.90 | — | — | |
| SCHEMBL13273709 | 0.75 | — | — | |
| SCHEMBL18231554 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL8317944 | 0.64 | — | — | |
| SCHEMBL11933970 | 0.61 | — | — | |
| SCHEMBL24720970 | 0.61 | — | — | |
| SCHEMBL13791547 | 0.61 | — | — | |
| SCHEMBL18716250 | 0.61 | — | — | |
| SCHEMBL24805342 | 0.60 | — | — | |
| SCHEMBL14418210 | 0.55 | — | — |
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-11345694-B2 | Antibacterial compounds | DISCUVA LTD. (GB) | 2022-05-31 | — | — | US | disclosed |
| US-20210163460-A1 | ANTIBACTERIAL COMPOUNDS | DISCUVA LTD. (GB) | 2021-06-03 | — | — | US | disclosed |