⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3813974 | 0.73 | — | — | |
| SCHEMBL737058 | 0.73 | — | — | |
| SCHEMBL5382945 | 0.73 | — | — | |
| SCHEMBL29233420 | 0.73 | PKM (0.30) | — | |
| SCHEMBL1770288 | 0.70 | — | — | |
| SCHEMBL4712886 | 0.69 | PKM (0.41) | — | |
| SCHEMBL1361764 | 0.69 | — | — | |
| SCHEMBL22655254 | 0.69 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL29231806 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL10638964 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2680840-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-08 | — | — | EP | claimed |
| EP-2590984-A1 | ANELLATED PYRIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-15 | — | — | EP | claimed |
| WO-2012117001-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-07 | — | — | WO | claimed |
| WO-2012004206-A1 | ANELLATED PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | WO | claimed |
| EP-2680840-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012117001-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-07 | — | — | WO | disclosed |
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |