⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995765 | 0.78 | CETP (0.35) | — | |
| SCHEMBL31078207 | 0.75 | — | — | |
| SCHEMBL1314654 | 0.73 | — | — | |
| SCHEMBL27246 | 0.70 | — | — | |
| SCHEMBL28370516 | 0.70 | — | — | |
| SCHEMBL26092 | 0.67 | — | — | |
| SCHEMBL30703063 | 0.67 | — | — | |
| SCHEMBL18422910 | 0.67 | CETP (0.39) | — | |
| SCHEMBL2852867 | 0.67 | CETP (0.39) | — | |
| SCHEMBL18422707 | 0.67 | CETP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021102221-A1 | DEUTERATED ANALOGS OF AN IDH1 INHIBITOR | AGIOS PHARMACEUTICALS, INC. (US) | 2021-05-27 | — | — | WO | disclosed |
| US-20200085832-A1 | DEUTERATED ANALOGS OF AN ORGANIC COMPOUND | SERVIER PHARMACEUTICALS LLC | 2020-03-19 | — | — | US | disclosed |