⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4391911 | 0.68 | — | — | |
| SCHEMBL2752470 | 0.65 | — | — | |
| SCHEMBL16112296 | 0.62 | — | — | |
| SCHEMBL15017856 | 0.61 | — | — | |
| SCHEMBL19438261 | 0.59 | — | — | |
| SCHEMBL4440350 | 0.58 | — | — | |
| SCHEMBL8022841 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL18305321 | 0.55 | — | — | |
| SCHEMBL6335738 | 0.53 | — | — | |
| SCHEMBL166056 | 0.53 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120323001-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2012-12-20 | — | — | US | disclosed |
| US-8278441-B2 | BACE inhibitors | ELI LILLY AND COMPANY (US) | 2012-10-02 | — | — | US | disclosed |
| WO-2012034957-A1 | PESTICIDAL PYRROLINE N-OXIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-03-22 | — | — | WO | disclosed |
| US-20110009395-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | US | disclosed |
| EP-1948617-A2 | PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS | Exelixis, Inc. (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007048065-A2 | PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS | EXELIXIS, INC. (US) | 2007-04-26 | — | — | WO | disclosed |