⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16462803 | 0.78 | GSR (0.37) | — | |
| SCHEMBL16460603 | 0.78 | — | — | |
| SCHEMBL9843764 | 0.77 | GCGR (0.33) | — | |
| SCHEMBL11347054 | 0.75 | NPC1 (0.32) | — | |
| SCHEMBL8637167 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL3969708 | 0.69 | — | — | |
| SCHEMBL22681212 | 0.69 | POLB (0.31) | — | |
| SCHEMBL9284230 | 0.69 | KDM5B (0.30) | — | |
| SCHEMBL26814195 | 0.66 | KDM5B (0.31) | — | |
| SCHEMBL10073360 | 0.65 | KDM5A (0.33) | — |
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-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140018347-A1 | BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-12-18 | — | — | CN | disclosed |
| EP-2643327-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| CN-103328485-A | Benzoxazepines as mTOR inhibitors and methods of use and production thereof | EXELIXIS INC | 2013-09-25 | — | — | CN | disclosed |
| WO-2012071511-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |