⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22492710 | 0.95 | — | — | |
| SCHEMBL9801192 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL22492555 | 0.75 | — | — | |
| Ethylene SCHEMBL7354417 | 0.74 | MMP9 (0.35) | — | |
| SCHEMBL252753 | 0.74 | — | — | |
| SCHEMBL9805888 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL5505112 | 0.72 | CYP2C19 (0.32) | — | |
| SCHEMBL22492592 | 0.72 | — | — | |
| SCHEMBL128409 | 0.70 | — | — | |
| SCHEMBL1965552 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024140968-A1 | TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR | 广州市联瑞制药有限公司 | 2024-07-04 | — | — | WO | disclosed |
| US-11753369-B2 | Creatine prodrugs, compositions and methods of use thereof | ULTRAGENYX PHARMACEUTICAL INC. (US) | 2023-09-12 | — | — | US | disclosed |
| CN-111417620-B | Creatine prodrugs, compositions thereof, and methods of use | 奥特吉尼克斯制药公司 | 2023-08-25 | — | — | CN | disclosed |
| EP-3717453-A2 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | Ultragenyx Pharmaceutical Inc. (US) | 2020-10-07 | — | — | EP | disclosed |
| CN-111417620-A | Creatine prodrugs, compositions thereof, and methods of use | 奥特吉尼克斯制药公司 | 2020-07-14 | — | — | CN | disclosed |