⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18560221 | 0.84 | — | — | |
| SCHEMBL21972150 | 0.76 | — | — | |
| SCHEMBL18850262 | 0.76 | — | — | |
| SCHEMBL20921556 | 0.74 | — | — | |
| SCHEMBL20730827 | 0.72 | OGA (0.31) | — | |
| SCHEMBL11959983 | 0.70 | — | — | |
| SCHEMBL22881873 | 0.70 | ANPEP (0.39) | — | |
| SCHEMBL18892787 | 0.69 | ALB (0.36) | — | |
| SCHEMBL20730486 | 0.68 | — | — | |
| SCHEMBL24702194 | 0.67 | SLC22A6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3580205-B1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLDIKETOPIPERAZINES AND OF A KEY INTERMEDIATE OF DS-5272 | FIS FABBRICA ITALIANA SINTETICI SPA (IT) | 2021-05-05 | — | — | EP | disclosed |