⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25432282 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL22559758 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL25985225 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL30180532 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL26922977 | 0.62 | — | — | |
| SCHEMBL15982001 | 0.60 | CYP2C19 (0.32) | — | |
| SCHEMBL18020648 | 0.60 | CYP2C19 (0.32) | — | |
| SCHEMBL19546106 | 0.59 | — | — | |
| SCHEMBL17087891 | 0.58 | CYP2C19 (0.33) | — | |
| SCHEMBL531356 | 0.57 | — | — |
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-20230250091-A1 | ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES | LYCIA THERAPEUTICS, INC. | 2023-08-10 | — | — | US | disclosed |