⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5174107 | 0.75 | CYP1A2 (0.37) | — | |
| SCHEMBL31387185 | 0.68 | GAA (0.56) | — | |
| SCHEMBL11200914 | 0.63 | PARP1 (0.36) | — | |
| SCHEMBL31554233 | 0.61 | — | — | |
| SCHEMBL24816957 | 0.60 | GRIN2D (0.55) | — | |
| SCHEMBL11205135 | 0.59 | HTR1A (0.55) | — | |
| SCHEMBL24816960 | 0.59 | ADRA2C (0.54) | — | |
| SCHEMBL24815805 | 0.58 | KMT2A (0.41) | — | |
| SCHEMBL14589051 | 0.57 | SETD7 (0.45) | — | |
| SCHEMBL24817000 | 0.57 | ALDH1A1 (0.39) | — |
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-2024255765-A1 | NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF | NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) | 2024-12-19 | — | — | WO | disclosed |