⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21378368 | 1.00 | — | — | |
| SCHEMBL22158785 | 1.00 | — | — | |
| SCHEMBL16045961 | 1.00 | — | — | |
| SCHEMBL19692708 | 1.00 | — | — | |
| SCHEMBL16055022 | 1.00 | — | — | |
| SCHEMBL22158786 | 1.00 | — | — | |
| SCHEMBL21378367 | 1.00 | — | — | |
| SCHEMBL16046312 | 0.84 | — | — | |
| SCHEMBL16046314 | 0.84 | — | — | |
| SCHEMBL18360702 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3464281-B1 | MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2017213910-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-12-14 | — | — | WO | disclosed |