⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19228617 | 0.74 | — | — | |
| SCHEMBL23207678 | 0.72 | — | — | |
| SCHEMBL26238790 | 0.72 | — | — | |
| SCHEMBL19088670 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL22649380 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL20375696 | 0.69 | — | — | |
| SCHEMBL18866691 | 0.69 | — | — | |
| SCHEMBL22989688 | 0.69 | — | — | |
| SCHEMBL13170997 | 0.69 | — | — | |
| SCHEMBL19193039 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240025856-A1 | 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER | CISTIM LEUVEN VZW (BE) | 2024-01-25 | — | — | US | disclosed |
| US-20230202985-A1 | Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD | CISTIM LEUVEN VZW (BE) | 2023-06-29 | — | — | US | disclosed |