⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24739736 | 0.81 | — | — | |
| SCHEMBL24739735 | 0.81 | — | — | |
| SCHEMBL14947798 | 0.77 | TRPV4 (0.36) | — | |
| SCHEMBL9797818 | 0.73 | NOS2 (0.38) | — | |
| SCHEMBL18648250 | 0.69 | HMGCR (0.32) | — | |
| SCHEMBL24739741 | 0.68 | CNR1 (0.34) | — | |
| SCHEMBL17495322 | 0.66 | KCNH2 (0.39) | — | |
| SCHEMBL21503708 | 0.64 | KCNH2 (0.42) | — | |
| SCHEMBL19619562 | 0.64 | KCNH2 (0.42) | — | |
| SCHEMBL294175 | 0.64 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022253283-A1 | PROTEIN KINASE DEGRADANT AND USE THEREOF | 中国科学院上海有机化学研究所 | 2022-12-08 | — | — | WO | disclosed |