⚠ 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 | — | — | |
| SCHEMBL19700730 | 1.00 | — | — | |
| SCHEMBL16045961 | 1.00 | — | — | |
| SCHEMBL19692708 | 1.00 | — | — | |
| SCHEMBL16055022 | 1.00 | — | — | |
| SCHEMBL22158786 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112262145-B | 2-aminopyrimidine derivative and preparation method and application thereof | 上海奕拓医药科技有限责任公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-109311863-B | Mutant IDH1 inhibitors | 伊莱利利公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-112262145-A | 2-aminopyrimidine derivatives, preparation method and application thereof | 上海奕拓医药科技有限责任公司 | 2021-01-22 | — | — | CN | disclosed |
| EP-3464281-B1 | MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2020-07-08 | — | — | EP | disclosed |
| US-10696665-B2 | Mutant IDH1 inhibitors | ELI LILLY AND COMPANY (US) | 2020-06-30 | — | — | US | disclosed |
| US-20190292175-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY | 2019-09-26 | — | — | US | disclosed |