⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884155 | 0.77 | HTR2C (0.36) | — | |
| SCHEMBL1096292 | 0.77 | HTR2C (0.37) | — | |
| SCHEMBL3114436 | 0.77 | KDM1A (0.37) | — | |
| SCHEMBL3465174 | 0.73 | — | — | |
| SCHEMBL1852085 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL3199325 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL11650701 | 0.60 | TSHR (0.46) | — | |
| SCHEMBL744929 | 0.59 | KDM1A (0.41) | — | |
| SCHEMBL3453584 | 0.58 | HTR2C (0.39) | — | |
| SCHEMBL30028865 | 0.58 | HTR2C (0.39) | — |
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-8476285-B2 | Purine-core inhibitors of HSP90 and their use in treating cancer | MYREXIS, INC. (US) | 2013-07-02 | — | — | US | disclosed |
| US-20100016586-A1 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | MYRIAD GENETICS, INCORPORATED (US) | 2010-01-21 | — | — | US | disclosed |
| US-7595401-B2 | Therapeutic compounds and their use in cancer | MYRIAD PHARMACEUTICALS, INC. (US) | 2009-09-29 | — | — | US | disclosed |
| EP-2038041-A2 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | Myriad Genetics, Inc. (US) | 2009-03-25 | — | — | EP | disclosed |
| US-20070299258-A1 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | MYRIAD GENETICS, INCORPORATED (US) | 2007-12-27 | — | — | US | disclosed |
| WO-2007134298-A2 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | MYRIAD GENETICS, INC. (US) | 2007-11-22 | — | — | WO | disclosed |