⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6888587 | 0.74 | — | — | |
| SCHEMBL22627609 | 0.71 | — | — | |
| SCHEMBL18752103 | 0.70 | — | — | |
| SCHEMBL8350254 | 0.67 | — | — | |
| SCHEMBL20907753 | 0.67 | — | — | |
| SCHEMBL20052758 | 0.66 | — | — | |
| SCHEMBL23033070 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL13802809 | 0.66 | — | — | |
| SCHEMBL15256652 | 0.66 | — | — | |
| SCHEMBL22649180 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9944633-B2 | Compounds and methods for the treatment of isocitrate dehydrogenase related diseases | THE BROAD INSTITUTE, INC. (US) | 2018-04-17 | — | — | US | disclosed |