⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10364881 | 0.98 | CPN1 (0.40) | — | |
| SCHEMBL6221404 | 0.74 | — | — | |
| SCHEMBL9059345 | 0.74 | — | — | |
| SCHEMBL16945637 | 0.73 | — | — | |
| SCHEMBL20457693 | 0.73 | — | — | |
| SCHEMBL15927302 | 0.73 | — | — | |
| SCHEMBL6275890 | 0.73 | — | — | |
| SCHEMBL7849954 | 0.71 | F2 (0.35) | — | |
| SCHEMBL20699390 | 0.70 | — | — | |
| SCHEMBL2869196 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161541-B1 | 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids | MERCK & CO. INC. (US) | 1990-12-12 | — | — | EP | disclosed |
| EP-0161541-A1 | 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |