⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1030246 | 0.84 | — | — | |
| SCHEMBL149393 | 0.81 | — | — | |
| SCHEMBL9602611 | 0.78 | — | — | |
| SCHEMBL9418943 | 0.78 | SLC1A1 (0.70) | — | |
| Ammonia Solution, Strong SCHEMBL16760976 | 0.78 | — | — | |
| SCHEMBL901916 | 0.77 | — | — | |
| SCHEMBL11187970 | 0.74 | — | — | |
| SCHEMBL2040403 | 0.74 | — | — | |
| SCHEMBL11360065 | 0.74 | FOLH1 (0.54) | — | |
| SCHEMBL2032262 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646216-A | Synthesis method of 2-fluoro-methyl 3-hydroxypropionate | 湖北工程学院 | 2016-06-08 | — | — | CN | disclosed |
| CN-105646216-A | Synthesis method of 2-fluoro-methyl 3-hydroxypropionate | 湖北工程学院 | 2016-06-08 | — | — | CN | disclosed |