⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193287 | 1.00 | — | — | |
| SCHEMBL29286240 | 0.82 | — | — | |
| SCHEMBL11444381 | 0.82 | — | — | |
| SCHEMBL28744622 | 0.82 | — | — | |
| SCHEMBL6925632 | 0.82 | — | — | |
| SCHEMBL25264473 | 0.82 | — | — | |
| Fluoride SCHEMBL9347241 | 0.82 | — | — | |
| Water SCHEMBL5076495 | 0.82 | — | — | |
| Fluoride SCHEMBL7528382 | 0.82 | — | — | |
| SCHEMBL28492502 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106467464-B | (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof | 信越化学工业株式会社 | 2020-12-29 | — | — | CN | disclosed |
| US-6583119-B2 | Aromatic antibiotics such as 7-((6-deoxy-5-methyl-4-methyl-hexopyranosyl)oxy)-4-hydroxy-8-methyl-3-(1 -(phenoxyimino) ethyl)-2H-1-benzopyran-2-one (2-propynyloxy)-carbamic 3'-ester acid, for prevention of grampositive bacterial infections | AVENTIS PHARMA S.A. (FR) | 2003-06-24 | — | — | US | disclosed |
| US-20030060609-A1 | Novel aromatic amides, preparation method and application as medicines | AVENTIS PHARMA S.A. | 2003-03-27 | — | — | US | disclosed |
| US-6420538-B1 | COMPOUND FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | AVENTIS PHARMA S.A. (FR) | 2002-07-16 | — | — | US | disclosed |