⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL3328169 | 0.39 | — | — | |
| SCHEMBL13523738 | 0.39 | — | — | |
| SCHEMBL16182315 | 0.36 | — | — | |
| SCHEMBL1617 | 0.36 | — | — | |
| Hydrogen Peroxide SCHEMBL2926506 | 0.33 | — | — | |
| Ethane SCHEMBL21436823 | 0.33 | — | — | |
| SCHEMBL915386 | 0.33 | — | — | |
| Methyl Alcohol SCHEMBL29866752 | 0.33 | — | — | |
| SCHEMBL93246 | 0.31 | — | — | |
| SCHEMBL9998309 | 0.31 | — | — |
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-5494666-A | BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | claimed |
| US-5464617-A | 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1995-11-07 | — | — | US | claimed |
| EP-0671401-A1 | Beta lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-13 | — | — | EP | claimed |
| US-5494666-A | BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| US-5464617-A | 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0671401-A1 | Beta lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-13 | — | — | EP | disclosed |