⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1992152 | 0.64 | — | — | |
| SCHEMBL5040063 | 0.53 | — | — | |
| SCHEMBL15367589 | 0.53 | — | — | |
| SCHEMBL7011742 | 0.52 | ADORA3 (0.46) | — | |
| SCHEMBL5561151 | 0.51 | — | — | |
| SCHEMBL31070934 | 0.35 | — | — | |
| Iodide SCHEMBL2006261 | 0.30 | — | — | |
| Iodide SCHEMBL1642936 | 0.30 | — | — | |
| Iodide SCHEMBL6755878 | 0.30 | — | — | |
| Iodide SCHEMBL118374 | 0.30 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150005265-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORES | TOKAI PHARMACEUTICALS, INC. | 2015-01-01 | — | — | US | claimed |
| EP-2793896-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORS | Tokai Pharmaceuticals, Inc. (US) | 2014-10-29 | — | — | EP | claimed |
| WO-2013096907-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORS | TOKAI PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | WO | claimed |
| US-20110319369-A1 | COMBINATION OF A 17 ALPHA-HYDROXYLASE/C17, 20-LYASE INHIBITOR WITH AN ADDITIONAL THERAPEUTIC AGENT | TOKAI PHARMACEUTICALS, INC. (US) | 2011-12-29 | — | — | US | claimed |
| WO-2010091299-A2 | NOVEL COMBINATION CANCER THERAPIES | TOKAI PHARMACEUTICALS (US) | 2010-08-12 | — | — | WO | claimed |
| US-20150051179-A1 | NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS | TOKAI PHARMACEUTICALS, INC. | 2015-02-19 | — | — | US | disclosed |
| US-20150005265-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORES | TOKAI PHARMACEUTICALS, INC. | 2015-01-01 | — | — | US | disclosed |
| EP-2793896-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORS | Tokai Pharmaceuticals, Inc. (US) | 2014-10-29 | — | — | EP | disclosed |
| US-8791095-B2 | Steroidal CYP17 inhibitors/antiandrogens | TOKAI PHARMACEUTICALS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| WO-2013096907-A1 | METHODS AND COMPOSITIONS FOR COMBINATION THERAPY USING P13K/MTOR INHIBITORS | TOKAI PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |
| US-20110319369-A1 | COMBINATION OF A 17 ALPHA-HYDROXYLASE/C17, 20-LYASE INHIBITOR WITH AN ADDITIONAL THERAPEUTIC AGENT | TOKAI PHARMACEUTICALS, INC. (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110312924-A1 | NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS | TOKAI PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | US | disclosed |
| WO-2010091299-A2 | NOVEL COMBINATION CANCER THERAPIES | TOKAI PHARMACEUTICALS (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010091303-A1 | NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS | TOKAI PHARMACEUTICALS (US) | 2010-08-12 | — | — | WO | disclosed |