⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29073305 | 0.73 | MTNR1A (0.33) | — | |
| SCHEMBL25331100 | 0.71 | HDAC8 (0.36) | — | |
| SCHEMBL29073380 | 0.70 | MTNR1A (0.49) | — | |
| SCHEMBL18725504 | 0.66 | ATM (0.36) | — | |
| SCHEMBL28830395 | 0.66 | ATM (0.36) | — | |
| SCHEMBL18725518 | 0.65 | ATM (0.35) | — | |
| SCHEMBL31287312 | 0.64 | DRD2 (0.35) | — | |
| SCHEMBL28667134 | 0.64 | DRD2 (0.35) | — | |
| SCHEMBL28667132 | 0.64 | DRD2 (0.35) | — | |
| SCHEMBL29415782 | 0.61 | HPGD (0.38) | — |
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-116783165-A | 1,2,3, 4-tetrahydroquinoline derivatives as YAP/TAZ-TEAD activation inhibitors for the treatment of cancer | 天主教鲁汶大学 | 2023-09-19 | — | — | CN | disclosed |