⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28322886 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL27968633 | 0.78 | — | — | |
| SCHEMBL27780326 | 0.78 | CYP19A1 (0.32) | — | |
| SCHEMBL28125085 | 0.77 | — | — | |
| Methane SCHEMBL28260973 | 0.76 | — | — | |
| SCHEMBL28109249 | 0.76 | — | — | |
| SCHEMBL29234117 | 0.75 | CYP17A1 (0.30) | — | |
| SCHEMBL27695855 | 0.74 | — | — | |
| SCHEMBL27777027 | 0.74 | — | — | |
| SCHEMBL424240 | 0.73 | TAAR1 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104918939-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | disclosed |
| CN-104918940-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | disclosed |