⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20722064 | 0.75 | FFAR4 (0.33) | — | |
| SCHEMBL20722063 | 0.75 | FFAR4 (0.33) | — | |
| SCHEMBL22412342 | 0.74 | SLC6A12 (0.34) | — | |
| SCHEMBL22412343 | 0.74 | SLC6A12 (0.34) | — | |
| SCHEMBL16831048 | 0.72 | GABRR1 (0.38) | — | |
| SCHEMBL16831047 | 0.72 | GABRR1 (0.38) | — | |
| SCHEMBL23358910 | 0.71 | — | — | |
| SCHEMBL28387849 | 0.71 | KDM5A (0.40) | — | |
| SCHEMBL5367868 | 0.71 | HTT (0.40) | — | |
| SCHEMBL5367870 | 0.71 | HTT (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111094233-B | Compounds, compositions, and methods | 戴纳立制药公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-111094233-A | Compounds, compositions and methods | 戴纳立制药公司 | 2020-05-01 | — | — | CN | disclosed |