⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26447122 | 0.84 | CES2 (0.41) | — | |
| SCHEMBL10350231 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL26447117 | 0.80 | CES2 (0.48) | — | |
| SCHEMBL4772237 | 0.78 | — | — | |
| SCHEMBL15948608 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL6730721 | 0.77 | CES1 (0.35) | — | |
| SCHEMBL8215438 | 0.76 | — | — | |
| SCHEMBL20380472 | 0.74 | — | — | |
| SCHEMBL25174 | 0.73 | — | — | |
| SCHEMBL8119186 | 0.73 | CES2 (0.60) | — |
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-20230138393-A1 | LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-04 | — | — | US | disclosed |