⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21118708 | 0.70 | TP53 (0.34) | — | |
| SCHEMBL18780017 | 0.64 | TP53 (0.32) | — | |
| SCHEMBL29059387 | 0.61 | CYP2D6 (0.31) | — | |
| SCHEMBL22007743 | 0.61 | TP53 (0.31) | — | |
| SCHEMBL1705841 | 0.61 | — | — | |
| SCHEMBL12216602 | 0.61 | — | — | |
| SCHEMBL26625981 | 0.58 | TP53 (0.41) | — | |
| SCHEMBL20017013 | 0.58 | — | — | |
| SCHEMBL14034845 | 0.58 | — | — | |
| SCHEMBL25661489 | 0.58 | — | — |
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-20210024581-A1 | CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS | ENDOCYTE INC (US) | 2021-01-28 | — | — | US | disclosed |