⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2562150 | 0.79 | ADRA1D (0.38) | — | |
| SCHEMBL1205997 | 0.78 | — | — | |
| SCHEMBL31467964 | 0.76 | — | — | |
| SCHEMBL1696338 | 0.74 | — | — | |
| SCHEMBL29137771 | 0.74 | — | — | |
| SCHEMBL1823076 | 0.74 | — | — | |
| SCHEMBL1295553 | 0.74 | — | — | |
| SCHEMBL28047104 | 0.74 | ADRA1D (0.37) | — | |
| SCHEMBL10947172 | 0.72 | — | — | |
| SCHEMBL15009038 | 0.71 | KEAP1 (0.60) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114249667-B | Method for preparing N-H ketoamide by two-step one-pot reaction catalyzed by tert-butyl alcohol salt | 衡阳师范学院 | 2023-12-26 | — | — | CN | disclosed |
| EP-2723739-A1 | SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2014-04-30 | — | — | EP | disclosed |
| WO-2012177714-A1 | SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-27 | — | — | WO | disclosed |
| EP-1831207-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006066172-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2006-06-22 | — | — | WO | disclosed |