⚠ 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 | |
|---|---|---|---|---|
| Trichloroacetic Acid SCHEMBL108357 | 1.00 | — | — | |
| Trichloroacetic Acid SCHEMBL3220 | 0.95 | — | — | |
| Trichloroacetic Acid SCHEMBL10493657 | 0.95 | TSHR (1.00) | — | |
| Trichloroacetic Acid SCHEMBL5311061 | 0.95 | TSHR (1.00) | — | |
| Trichloroacetic Acid SCHEMBL1331955 | 0.95 | — | — | |
| Trichloroacetic Acid SCHEMBL1331160 | 0.95 | — | — | |
| Trichloroacetic Acid SCHEMBL10745837 | 0.95 | — | — | |
| Trichloroacetic Acid SCHEMBL38661501 | 0.95 | — | — | |
| Trichloroacetic Acid SCHEMBL887007 | 0.91 | — | — | |
| Trichloroacetic Acid SCHEMBL6552197 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |