⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15349735 | 0.97 | — | — | |
| SCHEMBL17072311 | 0.97 | — | — | |
| SCHEMBL760206 | 0.97 | — | — | |
| Water SCHEMBL27803949 | 0.90 | TSHR (0.50) | — | |
| Pentane SCHEMBL27414605 | 0.85 | TSHR (0.46) | — | |
| Formic Acid SCHEMBL3387310 | 0.83 | TSHR (0.43) | — | |
| Glycerin SCHEMBL27512004 | 0.83 | LMNA (0.47) | — | |
| E968 SCHEMBL5202184 | 0.83 | TSHR (0.43) | — | |
| Acetic Acid SCHEMBL27716160 | 0.83 | TSHR (0.43) | — | |
| Phosphoric Acid SCHEMBL27281245 | 0.83 | TSHR (0.43) | — |
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-103980277-B | The preparation method of a kind of folic acid thiolated derivative | 青岛大学 | 2016-06-15 | — | — | CN | claimed |
| CN-103980277-B | The preparation method of a kind of folic acid thiolated derivative | 青岛大学 | 2016-06-15 | — | — | CN | disclosed |
| CN-1009922-B | Preparation method of dobutamine salt | LILLY CO ELI (US) | 1990-10-10 | — | — | CN | disclosed |
| CN-85109229-A | Preparation method and application of dobutamine salt | — | 1986-10-01 | — | — | CN | disclosed |