⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034736 | 0.75 | — | — | |
| SCHEMBL29603221 | 0.71 | — | — | |
| SCHEMBL30515445 | 0.65 | — | — | |
| SCHEMBL7900786 | 0.64 | GABRA1 (0.33) | — | |
| SCHEMBL157942 | 0.61 | — | — | |
| SCHEMBL23774760 | 0.59 | — | — | |
| SCHEMBL16181673 | 0.58 | NOS2 (0.32) | — | |
| SCHEMBL19673901 | 0.58 | — | — | |
| SCHEMBL4544193 | 0.56 | MEN1 (0.30) | — | |
| SCHEMBL7977492 | 0.56 | NISCH (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 |
|---|---|---|---|---|---|---|---|
| CN-117460714-A | PCNA inhibitors and EGFR inhibitors for cancer treatment | 希望之城 | 2024-01-26 | — | — | CN | disclosed |