⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24121228 | 0.84 | USP2 (0.34) | — | |
| SCHEMBL23996139 | 0.81 | CCR5 (0.32) | — | |
| SCHEMBL23996138 | 0.81 | — | — | |
| SCHEMBL24601689 | 0.65 | USP2 (0.32) | — | |
| SCHEMBL20407539 | 0.64 | CCR5 (0.33) | — | |
| SCHEMBL12307258 | 0.62 | MEN1 (0.47) | — | |
| SCHEMBL12254884 | 0.62 | NPSR1 (0.42) | — | |
| SCHEMBL12696512 | 0.62 | CHRNB2 (0.40) | — | |
| SCHEMBL27413462 | 0.62 | CYP2C19 (0.43) | — | |
| SCHEMBL22672748 | 0.61 | ALDH1A1 (0.34) | — |
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-20210340406-A1 | CURABLE PRECURSOR OF A STRUCTURAL ADHESIVE COMPOSITION | 3M INNOVATIVE PROPERTIES COMPANY | 2021-11-04 | — | — | US | disclosed |