⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL140950 | 0.86 | TSHR (0.59) | — | |
| SCHEMBL10685820 | 0.83 | ALDH1A1 (0.53) | — | |
| SCHEMBL7026346 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL4434792 | 0.80 | — | — | |
| SCHEMBL3940524 | 0.78 | — | — | |
| SCHEMBL25435114 | 0.77 | TSHR (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL10914529 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL4869503 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL891217 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL6130008 | 0.75 | ALDH1A1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |