⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23646967 | 0.73 | — | — | |
| Butanedione SCHEMBL4889052 | 0.66 | TSHR (0.58) | — | |
| SCHEMBL7904200 | 0.62 | — | — | |
| Butanedione SCHEMBL4879228 | 0.62 | TSHR (0.64) | — | |
| SCHEMBL5846213 | 0.61 | — | — | |
| SCHEMBL5836218 | 0.61 | — | — | |
| SCHEMBL27808753 | 0.60 | — | — | |
| SCHEMBL9367389 | 0.57 | — | — | |
| Butanedione SCHEMBL3398297 | 0.57 | — | — | |
| Acetic Acid SCHEMBL18063114 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |