⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11052400 | 0.78 | — | — | |
| SCHEMBL10999628 | 0.77 | — | — | |
| SCHEMBL9179557 | 0.76 | FAAH (0.32) | — | |
| SCHEMBL9179539 | 0.76 | FAAH (0.32) | — | |
| SCHEMBL9179549 | 0.76 | FAAH (0.32) | — | |
| SCHEMBL10865641 | 0.74 | — | — | |
| SCHEMBL10865652 | 0.74 | — | — | |
| SCHEMBL9878060 | 0.73 | — | — | |
| SCHEMBL4696518 | 0.68 | — | — | |
| SCHEMBL3332425 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992542-A | Thienamycin antibiotics | MERCK & CO., INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0001628-B1 | 3-SUBSTITUTED-6-SUBSTITUTED-7-OXO-1-AZABICYCLO (3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MERCK & CO. INC. (US) | 1984-01-18 | — | — | EP | disclosed |
| EP-0082133-A2 | A process for preparing intermediates useful for preparing 2-substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids | MERCK & CO. INC. (US) | 1983-06-22 | — | — | EP | disclosed |
| US-4347368-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0017992-A1 | 2-Substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing them, antibiotic pharmaceutical compositions containing same and process for preparing intermediates | MERCK & CO. INC. (US) | 1980-10-29 | — | — | EP | disclosed |
| EP-0001628-A1 | 3-Substituted-6-substituted-7-oxo-1-azabicyclo (3.2.0)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it | MERCK & CO. INC. (US) | 1979-05-02 | — | — | EP | disclosed |