⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6596768 | 1.00 | — | — | |
| SCHEMBL346420 | 1.00 | — | — | |
| SCHEMBL15217227 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28313424 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10655420 | 0.97 | — | — | |
| SCHEMBL318371 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL28360265 | 0.82 | GABRR1 (0.32) | — | |
| SCHEMBL16384299 | 0.80 | LMNA (0.33) | — | |
| Methacrylic Acid SCHEMBL3233262 | 0.78 | TGFBR1 (0.34) | — | |
| SCHEMBL28882207 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024212742-A1 | GLP-1R AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海研健新药研发有限公司 | 2024-10-17 | — | — | WO | disclosed |
| CN-118420603-A | Tromethamine salt crystal form of cycloolefin compound and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-08-02 | — | — | CN | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |
| CN-114058655-A | Method for synthesizing (R) -acetamidophenylpropanol by enzyme-chemical one-pot method | 青岛科技大学 | 2022-02-18 | — | — | CN | disclosed |
| CN-114058655-A | Method for synthesizing (R) -acetamidophenylpropanol by enzyme-chemical one-pot method | 青岛科技大学 | 2022-02-18 | — | — | CN | disclosed |