⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15329614 | 0.77 | HSD17B10 (0.44) | — | |
| SCHEMBL10973591 | 0.71 | PKM (0.49) | — | |
| SCHEMBL9332118 | 0.70 | — | — | |
| SCHEMBL11522171 | 0.70 | HSD17B10 (0.53) | — | |
| SCHEMBL15332741 | 0.70 | PKM (0.44) | — | |
| SCHEMBL9332110 | 0.69 | — | — | |
| SCHEMBL7023618 | 0.66 | PKM (0.42) | — | |
| SCHEMBL21131762 | 0.65 | GAA (0.39) | — | |
| SCHEMBL12590 | 0.64 | — | — | |
| SCHEMBL21066390 | 0.64 | HSD17B10 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0127847-A1 | 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives | HOECHST UK LIMITED (GB) | 1984-12-12 | — | — | EP | disclosed |