⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18816456 | 1.00 | — | — | |
| SCHEMBL2043277 | 0.75 | — | — | |
| SCHEMBL4493098 | 0.75 | — | — | |
| SCHEMBL14760806 | 0.75 | — | — | |
| SCHEMBL17889898 | 0.71 | PDE4B (0.30) | — | |
| SCHEMBL2043837 | 0.71 | — | — | |
| SCHEMBL2541562 | 0.69 | — | — | |
| SCHEMBL2536417 | 0.69 | CHRM1 (0.32) | — | |
| SCHEMBL2048361 | 0.69 | — | — | |
| SCHEMBL2096349 | 0.68 | ROCK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8461328-B2 | Tricyclic heterocyclic compounds, compositions and methods of use thereof | GENENTECH, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| EP-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2012085176-A1 | TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-28 | — | — | WO | disclosed |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |