⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15384230 | 0.81 | — | — | |
| SCHEMBL17209851 | 0.78 | — | — | |
| SCHEMBL758753 | 0.74 | — | — | |
| SCHEMBL17150138 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL14598360 | 0.70 | — | — | |
| SCHEMBL25882969 | 0.70 | — | — | |
| SCHEMBL13863851 | 0.70 | TSHR (0.54) | — | |
| SCHEMBL15871616 | 0.69 | — | — | |
| SCHEMBL24937031 | 0.67 | — | — | |
| SCHEMBL18100122 | 0.67 | — | — |
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-11697793-B2 | Compositions and methods of making and using protein-functionalized hydrogels | WASHINGTON UNIVERSITY (US) | 2023-07-11 | — | — | US | disclosed |