⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30939756 | 0.81 | HDAC3 (0.33) | — | |
| SCHEMBL29236301 | 0.75 | FFAR1 (0.31) | — | |
| SCHEMBL29138047 | 0.74 | ACHE (0.33) | — | |
| SCHEMBL29236192 | 0.74 | HDAC4 (0.30) | — | |
| SCHEMBL29236081 | 0.72 | NAMPT (0.32) | — | |
| SCHEMBL31276949 | 0.70 | JAK2 (0.38) | — | |
| SCHEMBL31338589 | 0.70 | IKBKE (0.33) | — | |
| SCHEMBL29260329 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL29236068 | 0.69 | — | — | |
| SCHEMBL29139830 | 0.67 | — | — |
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-110831926-B | Tetrahydronaphtyl urea derivatives | 持田制药株式会社 | 2023-11-21 | — | — | CN | disclosed |