⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575747 | 0.84 | — | — | |
| SCHEMBL22872266 | 0.84 | — | — | |
| SCHEMBL24079396 | 0.82 | ACHE (0.30) | — | |
| SCHEMBL2698843 | 0.82 | ACHE (0.30) | — | |
| SCHEMBL576486 | 0.82 | — | — | |
| SCHEMBL6917854 | 0.73 | — | — | |
| SCHEMBL21288425 | 0.72 | THRB (0.50) | — | |
| Cyclopentanamine SCHEMBL9209573 | 0.72 | THRB (0.50) | — | |
| SCHEMBL22929008 | 0.70 | — | — | |
| SCHEMBL19186535 | 0.69 | THRB (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210017274-A1 | Drug-Conjugates With a Targeting Molecule and Two Different Drugs | SORRENTO THERAPEUTICS, INC. (US) | 2021-01-21 | — | — | US | disclosed |