⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12148580 | 0.82 | — | — | |
| SCHEMBL15111283 | 0.78 | CTSD (0.36) | — | |
| SCHEMBL10466003 | 0.77 | ITGB1 (0.45) | — | |
| SCHEMBL4015001 | 0.75 | ITGB1 (0.39) | — | |
| SCHEMBL9782763 | 0.74 | ITGB1 (0.47) | — | |
| SCHEMBL10998484 | 0.72 | ITGB1 (0.41) | — | |
| SCHEMBL4007879 | 0.72 | ITGB1 (0.37) | — | |
| SCHEMBL5768296 | 0.71 | — | — | |
| SCHEMBL4559467 | 0.71 | — | — | |
| SCHEMBL14314366 | 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 4 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 |
| EP-0054917-A2 | 6- and 4-Substituted-1-azabicyclo(3.2.0)heptan-3,7-dione-2-carboxylates | MERCK & CO. INC. (US) | 1982-06-30 | — | — | EP | disclosed |
| EP-0010317-A1 | 6-, 1- and 2-substituted-1-carbapen-2-em-3-carboxylic acids, processes for the preparation of such compounds and pharmaceutical composition comprising such compounds | MERCK & CO. INC. (US) | 1980-04-30 | — | — | EP | disclosed |