⚠ 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 SCHEMBL9861001 | 0.95 | — | — | |
| SCHEMBL23609859 | 0.80 | — | — | |
| SCHEMBL22986497 | 0.77 | — | — | |
| SCHEMBL13089713 | 0.65 | PNMT (0.32) | — | |
| SCHEMBL503093 | 0.63 | — | — | |
| SCHEMBL10011146 | 0.63 | — | — | |
| SCHEMBL2123607 | 0.59 | — | — | |
| SCHEMBL24254789 | 0.59 | — | — | |
| SCHEMBL1903771 | 0.59 | PNMT (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL8002516 | 0.59 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018106606-A1 | PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS | Apros Therapeutics, Inc. (US) | 2018-06-14 | — | — | WO | disclosed |
| US-4994568-A | Intermediates for 6-,1- and 2-substituted carbapenem antibiotics | MERCK & CO., INC. (US) | 1991-02-19 | — | — | US | 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 |
| EP-0030032-B1 | 6-, 1- AND 2-SUBSTITUTED-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, PROCESSES FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES | MERCK & CO. INC. (US) | 1986-08-27 | — | — | 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 |
| 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-4312871-A | 6-, 1- And 2-substituted-1-carbadethiapen-2-em-3-carboxylic acids | MERCK & CO., INC. (US) | 1982-01-26 | — | — | US | disclosed |
| EP-0030032-A2 | 6-, 1- and 2-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing the same, pharmaceutical compositions containing the same, and intermediates | MERCK & CO. INC. (US) | 1981-06-10 | — | — | EP | 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 |
| 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 |