⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4764065 | 0.72 | — | — | |
| SCHEMBL11146066 | 0.65 | — | — | |
| SCHEMBL11147285 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL28319104 | 0.61 | — | — | |
| SCHEMBL10578679 | 0.59 | — | — | |
| SCHEMBL18305974 | 0.59 | — | — | |
| SCHEMBL27949246 | 0.58 | — | — | |
| SCHEMBL9710961 | 0.57 | CTSL (0.32) | — | |
| SCHEMBL4278111 | 0.56 | — | — | |
| Ethane SCHEMBL28010291 | 0.53 | CTSK (0.87) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | claimed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | claimed |
| WO-2013007768-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-01-17 | — | — | WO | disclosed |