⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17520404 | 0.71 | DUT (0.36) | — | |
| SCHEMBL4790668 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL17520385 | 0.70 | DUT (0.35) | — | |
| SCHEMBL17520383 | 0.68 | EPHX1 (0.37) | — | |
| SCHEMBL24522266 | 0.66 | TRPA1 (0.32) | — | |
| SCHEMBL13164464 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL19798739 | 0.64 | POLB (0.39) | — | |
| SCHEMBL18859420 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL9965243 | 0.62 | USP2 (0.32) | — | |
| SCHEMBL13126748 | 0.62 | L3MBTL1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10919877-B2 | Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2021-02-16 | — | — | US | disclosed |
| US-20190224207-A1 | MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-07-25 | — | — | US | disclosed |