⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9999366 | 0.81 | — | — | |
| SCHEMBL24386933 | 0.81 | — | — | |
| SCHEMBL31191808 | 0.80 | SHBG (0.32) | — | |
| SCHEMBL31191735 | 0.80 | SHBG (0.32) | — | |
| SCHEMBL24386936 | 0.79 | — | — | |
| SCHEMBL21259624 | 0.76 | SHBG (0.39) | — | |
| SCHEMBL1370484 | 0.76 | SHBG (0.39) | — | |
| SCHEMBL22244434 | 0.73 | SHBG (0.33) | — | |
| SCHEMBL22321841 | 0.73 | — | — | |
| SCHEMBL22321843 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951180-B1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |
| US-9540377-B2 | 2,6,7,8 substituted purines as HDM2 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-01-10 | — | — | US | disclosed |
| US-20150353553-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-12-10 | — | — | US | disclosed |