⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12506845 | 0.83 | — | — | |
| SCHEMBL12413928 | 0.78 | EIF4A3 (0.33) | — | |
| SCHEMBL18793267 | 0.75 | CA3 (0.46) | — | |
| SCHEMBL6872382 | 0.75 | — | — | |
| SCHEMBL20157215 | 0.74 | — | — | |
| SCHEMBL8670673 | 0.73 | — | — | |
| SCHEMBL8644317 | 0.73 | — | — | |
| SCHEMBL27263649 | 0.73 | — | — | |
| SCHEMBL777155 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL31426534 | 0.72 | DGAT1 (0.34) | — |
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-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| EP-2445878-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | Boehringer Ingelheim International GmbH (DE) | 2012-05-02 | — | — | EP | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |
| WO-2010149684-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |