⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL339 | 0.82 | — | — | |
| SCHEMBL27565622 | 0.82 | LOX (1.00) | — | |
| Bicarbonate SCHEMBL28678945 | 0.80 | KMT2A (0.73) | — | |
| Bicarbonate SCHEMBL909963 | 0.80 | — | — | |
| Formic Acid SCHEMBL4915972 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2719729 | 0.78 | — | — | |
| Ethylenediamine SCHEMBL28099544 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL11876639 | 0.78 | KMT2A (0.70) | — | |
| Carbamic Acid SCHEMBL28684032 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL7119756 | 0.78 | LOX (0.67) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5414013-A | Enzyme inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5414017-A | Cardiovascular agents | E. R. SQUIBB & SONS, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| EP-0449523-B1 | Mercapto- or acylthio-trifluoromethyl amide derivatives and their use | SQUIBB & SONS INC (US) | 1994-08-17 | — | — | EP | disclosed |
| US-5223516-A | Endopeptidase inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1993-06-29 | — | — | US | disclosed |
| EP-0449523-A1 | Mercapto- or acylthio-trifluoromethyl amide derivatives and their use | E.R. SQUIBB & SONS, INC. (US) | 1991-10-02 | — | — | EP | disclosed |