⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55072 | 1.00 | — | — | |
| SCHEMBL557416 | 1.00 | — | — | |
| SCHEMBL9489254 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL8367461 | 0.97 | TSHR (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL7116627 | 0.97 | TSHR (0.50) | — | |
| Potassium SCHEMBL408268 | 0.97 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL20529478 | 0.97 | TSHR (0.50) | — | |
| Ethylene SCHEMBL27598143 | 0.95 | TSHR (0.47) | — | |
| Water SCHEMBL28280740 | 0.95 | TSHR (0.47) | — | |
| Acetic Acid SCHEMBL5904005 | 0.92 | ALDH1A1 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114269343-A | Methods and compositions for treating cancer | 希望之城 | 2022-04-01 | — | — | CN | disclosed |
| CN-101951898-B | Medical use of 3- (2,2, 2-trimethylhydrazinium) propionate hydrogen fumarate and dihydrogen phosphate | GRINDEKS JSC | 2012-12-05 | — | — | CN | disclosed |
| CN-101951898-A | Medical use of 3- (2,2, 2-trimethylhydrazinium) propionate hydrogen fumarate and dihydrogen phosphate | GRINDEKS JSC | 2011-01-19 | — | — | CN | disclosed |
| CN-101951991-A | New medical use of 3-(2,2,2-trimethylhydrazinium) propionate salts | GRINDEKS JSC | 2011-01-19 | — | — | CN | disclosed |