⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960440 | 0.84 | TSHR (0.42) | — | |
| SCHEMBL8960912 | 0.82 | TSHR (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL3124787 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL1454889 | 0.77 | — | — | |
| SCHEMBL12917326 | 0.76 | — | — | |
| SCHEMBL18642323 | 0.76 | — | — | |
| SCHEMBL7032667 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL12661554 | 0.76 | — | — | |
| SCHEMBL16077774 | 0.76 | — | — | |
| SCHEMBL8960242 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| EP-0693284-A1 | PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT | TEIJIN LIMITED (JP) | 1996-01-24 | — | — | EP | disclosed |