⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21170061 | 0.81 | — | — | |
| SCHEMBL19292179 | 0.79 | — | — | |
| SCHEMBL56066 | 0.77 | — | — | |
| SCHEMBL21183377 | 0.77 | — | — | |
| SCHEMBL56067 | 0.77 | — | — | |
| SCHEMBL7620368 | 0.77 | — | — | |
| SCHEMBL107995 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL107996 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL20393141 | 0.73 | — | — | |
| SCHEMBL21417487 | 0.73 | — | — |
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 |