⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20106308 | 0.68 | MDM2 (0.43) | — | |
| SCHEMBL9238480 | 0.43 | HRH3 (0.32) | — | |
| SCHEMBL16063842 | 0.42 | KMT2A (0.39) | — | |
| SCHEMBL2004794 | 0.41 | LMNA (0.55) | — | |
| SCHEMBL8212975 | 0.41 | TSHR (0.39) | — | |
| SCHEMBL29138549 | 0.41 | DPP4 (0.35) | — | |
| SCHEMBL8221276 | 0.41 | TSHR (0.39) | — | |
| SCHEMBL28773870 | 0.41 | TSHR (0.39) | — | |
| SCHEMBL7864519 | 0.41 | PTPN1 (0.33) | — | |
| SCHEMBL7856847 | 0.41 | TSHR (0.32) | — |
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 1 patent. 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 |