⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8348389 | 0.76 | — | — | |
| SCHEMBL11032332 | 0.75 | — | — | |
| SCHEMBL14028664 | 0.74 | — | — | |
| SCHEMBL38658426 | 0.74 | — | — | |
| SCHEMBL23008640 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL9861221 | 0.74 | ITGB3 (0.35) | — | |
| SCHEMBL22434499 | 0.72 | CDC7 (0.35) | — | |
| SCHEMBL12148832 | 0.70 | — | — | |
| SCHEMBL10416567 | 0.70 | — | — | |
| SCHEMBL7772078 | 0.70 | ITGB1 (0.42) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994568-A | Intermediates for 6-,1- and 2-substituted carbapenem antibiotics | MERCK & CO., INC. (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0071908-B1 | 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) | 1989-09-27 | — | — | EP | disclosed |
| EP-0054917-B1 | 6- AND 4-SUBSTITUTED-1-AZABICYCLO(3.2.0)HEPTAN-3,7-DIONE-2-CARBOXYLATES | MERCK & CO. INC. (US) | 1988-03-09 | — | — | EP | disclosed |
| US-4465632-A | Process for preparing 1-6-and 2-substituted-1-carba-2-penem-3-carboxylic acids | MERCK & CO., INC. (US) | 1984-08-14 | — | — | US | disclosed |
| 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-0010317-B1 | 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) | 1983-12-21 | — | — | EP | disclosed |
| EP-0010316-B1 | 1-, 6- AND 2-SUBSTITUTED-1-CARBA-2-PENEM-3-CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1983-10-05 | — | — | 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-4350631-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1982-09-21 | — | — | US | 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 |
| US-4260627-A | 1-, 6- And 2-substituted-1-carba-2-penem-3-carboxylic acids | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4232036-A | 6-, 1- and 2-Substituted-1-carbadethiapen-2-em-3-carboxylic acids | MERCK & CO., INC. (US) | 1980-11-04 | — | — | US | disclosed |
| US-4218462-A | 6-(1-Hydroxyethyl)-2-(2-aminoethylthio)-1-substituted-1-carbade-thiapen-2-em-3-carboxylic acids | MERCK & CO., INC. (US) | 1980-08-19 | — | — | US | disclosed |
| US-4206219-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1980-06-03 | — | — | US | disclosed |
| EP-0010316-A1 | 1-, 6- and 2-substituted-1-carba-2-penem-3-carboxylic acids, process for preparing the same and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1980-04-30 | — | — | 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 |