⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4714661 | 0.79 | — | — | |
| SCHEMBL2821952 | 0.73 | — | — | |
| SCHEMBL4044147 | 0.73 | — | — | |
| SCHEMBL7373662 | 0.73 | NFKB1 (0.50) | — | |
| SCHEMBL11589855 | 0.73 | — | — | |
| SCHEMBL11589852 | 0.73 | — | — | |
| SCHEMBL10872889 | 0.69 | — | — | |
| SCHEMBL3692799 | 0.69 | — | — | |
| SCHEMBL9238439 | 0.69 | — | — | |
| SCHEMBL6372244 | 0.69 | — | — |
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-2004315386-A | ANTI-MICROBIAL AGENT | HAYASHIBARA TAKESHI | 2004-11-11 | — | — | JP | disclosed |