⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL799182 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL25028393 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL77807 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL22781082 | 0.73 | — | — | |
| SCHEMBL22931574 | 0.73 | — | — | |
| SCHEMBL20259600 | 0.72 | — | — | |
| SCHEMBL18945600 | 0.72 | — | — | |
| SCHEMBL4241014 | 0.72 | — | — | |
| SCHEMBL9472570 | 0.71 | — | — | |
| SCHEMBL24712671 | 0.71 | — | — |
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-20230140808-A1 | (1 H-Indol-5-YL)Acrylamide Derivatives as Inhibitors of Tead Proteins and the Hippo-YAP1/TAZ Signaling Cascade for the Treatment of Cancer | SANOFI (FR) | 2023-05-04 | — | — | US | disclosed |
| WO-2018039531-A1 | SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2018-03-01 | — | — | WO | disclosed |