⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23608550 | 0.87 | USP30 (0.32) | — | |
| SCHEMBL28850000 | 0.72 | — | — | |
| SCHEMBL23580353 | 0.69 | — | — | |
| SCHEMBL28849954 | 0.69 | — | — | |
| SCHEMBL23580042 | 0.67 | GAA (0.30) | — | |
| SCHEMBL29883321 | 0.67 | GAA (0.30) | — | |
| SCHEMBL23580015 | 0.67 | — | — | |
| SCHEMBL23580569 | 0.67 | — | — | |
| SCHEMBL31391772 | 0.66 | NOTUM (0.30) | — | |
| SCHEMBL23580107 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| CN-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |
| WO-2021134004-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRODINGER, INC. (US) | 2021-07-01 | — | — | WO | disclosed |