⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9063425 | 0.74 | ITGB1 (0.52) | — | |
| SCHEMBL9082279 | 0.74 | NOS1 (0.41) | — | |
| SCHEMBL10464804 | 0.73 | — | — | |
| SCHEMBL9406800 | 0.73 | — | — | |
| SCHEMBL8592596 | 0.72 | NOS2 (0.45) | — | |
| SCHEMBL8592599 | 0.72 | NOS2 (0.45) | — | |
| SCHEMBL14314366 | 0.71 | — | — | |
| SCHEMBL5768296 | 0.71 | — | — | |
| SCHEMBL6130788 | 0.71 | — | — | |
| SCHEMBL4559467 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113101-A1 | 6-(1-Hydroxyethyl)-2-SR8-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters | MERCK & CO. INC. (US) | 1984-07-11 | — | — | EP | disclosed |
| EP-0071908-A1 | 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |
| US-4356120-A | 3-(1-Hydroxyethyl)-4-(but-2-ene)-azetidin-2-one and derivatives | MERCK & CO., INC. (US) | 1982-10-26 | — | — | US | disclosed |