⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27863661 | 0.82 | RIPK1 (0.32) | — | |
| SCHEMBL25312922 | 0.80 | FFAR1 (0.30) | — | |
| SCHEMBL1580562 | 0.80 | FFAR1 (0.30) | — | |
| SCHEMBL25385925 | 0.75 | RIPK1 (0.31) | — | |
| SCHEMBL7866467 | 0.74 | — | — | |
| SCHEMBL25663 | 0.74 | — | — | |
| SCHEMBL25384463 | 0.73 | ACACB (0.33) | — | |
| SCHEMBL25386127 | 0.73 | ACACB (0.33) | — | |
| SCHEMBL11857755 | 0.73 | ACACB (0.38) | — | |
| SCHEMBL25383008 | 0.73 | ACACB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117897377-A | Difluoromethylation of heterocycles using tetrafluoroethylene | ＡＧＣ株式会社 | 2024-04-16 | — | — | CN | disclosed |
| CN-103958566-B | Improve the molal weight of polyalkylene polyamine by the amination of homogeneous catalysis alcohol | BASF SE (DE) | 2016-05-04 | — | — | CN | disclosed |