⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14419976 | 0.76 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20204157 | 0.75 | CTSL (0.39) | — | |
| SCHEMBL15359375 | 0.72 | CTSL (0.33) | — | |
| SCHEMBL23625055 | 0.71 | — | — | |
| SCHEMBL23135367 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL23135356 | 0.69 | TP53 (0.42) | — | |
| SCHEMBL27818581 | 0.68 | TSHR (0.43) | — | |
| SCHEMBL14415209 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL17450073 | 0.68 | TP53 (0.37) | — | |
| SCHEMBL22342246 | 0.67 | IDO1 (0.33) | — |
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-11021445-B2 | Carboxylic acid derivative as AT2R receptor antagonist | SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) | 2021-06-01 | — | — | US | disclosed |
| US-20200102275-A1 | CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST | SHANDONG DANHONG PHARMACEUTICAL CO., LTD. | 2020-04-02 | — | — | US | disclosed |