⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8065365 | 1.00 | — | — | |
| SCHEMBL1674927 | 0.77 | — | — | |
| SCHEMBL15354429 | 0.77 | — | — | |
| SCHEMBL15354430 | 0.77 | — | — | |
| SCHEMBL17445777 | 0.77 | — | — | |
| SCHEMBL24701866 | 0.77 | — | — | |
| SCHEMBL12968965 | 0.77 | — | — | |
| SCHEMBL10045994 | 0.75 | — | — | |
| SCHEMBL5350652 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL12969166 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000119212-A | ANTIBACTERIAL AGENT | TAKEDA FOOD PRODUCTS LTD | 2000-04-25 | — | — | JP | disclosed |