⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15817519 | 1.00 | — | — | |
| SCHEMBL15533714 | 0.76 | ALPL (0.30) | — | |
| SCHEMBL25978080 | 0.76 | ALPL (0.30) | — | |
| SCHEMBL23376752 | 0.76 | ALPL (0.30) | — | |
| SCHEMBL26257271 | 0.73 | — | — | |
| SCHEMBL12428091 | 0.71 | — | — | |
| SCHEMBL765950 | 0.71 | — | — | |
| SCHEMBL16980473 | 0.70 | — | — | |
| SCHEMBL18305942 | 0.69 | — | — | |
| SCHEMBL25594307 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210299100-A1 | BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS | NOVARTIS PHARMA AG (CH) | 2021-09-30 | — | — | US | disclosed |