⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4292094 | 1.00 | — | — | |
| SCHEMBL1304893 | 1.00 | — | — | |
| SCHEMBL9360731 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL7858222 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL11377387 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL366631 | 0.75 | ALDH1A1 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL9795266 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL9509384 | 0.72 | AKR1C3 (0.48) | — | |
| SCHEMBL9509381 | 0.72 | AKR1C3 (0.48) | — | |
| SCHEMBL2698768 | 0.72 | ALDH1A1 (0.38) | — |
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-20090221559-A1 | BENZODIAZEPINES AS HCV INHIBITORS | BONFANTI JEAN-FRANCOIS | 2009-09-03 | — | — | US | disclosed |
| CN-101321534-A | Benzodiazepines as HCV inhibitors | TIBOTEC PHARM LTD (IE) | 2008-12-10 | — | — | CN | disclosed |
| CN-1205198-C | Cyclic ketone derivative and pharmaceutical use thereof | TORAY INDUSTRIES (JP) | 2005-06-08 | — | — | CN | disclosed |
| CN-1114602-C | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2003-07-16 | — | — | CN | disclosed |
| CN-1242770-A | Cyclic ketone derivative and pharmaceutical use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| CN-1242771-A | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |