⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7530658 | 0.92 | — | — | |
| SCHEMBL8764004 | 0.85 | ADH1B (0.72) | — | |
| SCHEMBL11138833 | 0.85 | ADH1B (0.72) | — | |
| SCHEMBL11322360 | 0.85 | ADH1B (0.72) | — | |
| SCHEMBL11136512 | 0.85 | ADH1B (0.72) | — | |
| SCHEMBL979732 | 0.85 | ADH1B (0.72) | — | |
| SCHEMBL5104034 | 0.82 | ADH1B (0.68) | — | |
| SCHEMBL8068062 | 0.82 | ADH1B (0.71) | — | |
| SCHEMBL1766939 | 0.79 | — | — | |
| SCHEMBL8763225 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |