⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28338550 | 0.97 | — | — | |
| SCHEMBL19642625 | 0.79 | — | — | |
| SCHEMBL7997376 | 0.77 | — | — | |
| SCHEMBL15386999 | 0.77 | — | — | |
| SCHEMBL19815496 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL15386424 | 0.74 | — | — | |
| SCHEMBL4042004 | 0.74 | — | — | |
| SCHEMBL29233512 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL19125450 | 0.74 | — | — | |
| SCHEMBL4441930 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | claimed |
| EP-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | claimed |
| US-20080166359-A1 | Methods of using MEK inhibitors | EXELIXIS, INC. | 2008-07-10 | — | — | US | claimed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | WO | claimed |
| WO-2008124085-A2 | METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS | EXELIXIS, INC. (US) | 2008-10-16 | — | — | WO | disclosed |