⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24521641 | 0.75 | — | — | |
| SCHEMBL1794108 | 0.72 | — | — | |
| SCHEMBL2067249 | 0.68 | — | — | |
| SCHEMBL2068888 | 0.66 | — | — | |
| SCHEMBL3518599 | 0.65 | — | — | |
| SCHEMBL2067152 | 0.64 | — | — | |
| SCHEMBL2068125 | 0.63 | — | — | |
| SCHEMBL6698051 | 0.62 | GABRP (0.31) | — | |
| SCHEMBL2068467 | 0.59 | — | — | |
| SCHEMBL2067899 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040058970-A1 | Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands | MERCK SHARP & DOHME LTD. (GB) | 2004-03-25 | — | — | US | claimed |
| US-7022724-B2 | Cognition enhancing derivatives of isoxazole triazoloindane GABA-A α5 receptor subunit ligands | MERCK SHARP & DOHME LTD. (GB) | 2006-04-04 | — | — | US | disclosed |
| US-20040058970-A1 | Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands | MERCK SHARP & DOHME LTD. (GB) | 2004-03-25 | — | — | US | disclosed |
| US-4241206-A | Ketone synthesis by hydroacylation | BELL TELEPHONE LABORATORIES, INCORPORATED (US) | 1980-12-23 | — | — | US | disclosed |