⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2830101 | 0.79 | — | — | |
| SCHEMBL27811469 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL2824055 | 0.77 | MLYCD (0.34) | — | |
| SCHEMBL2825355 | 0.74 | FAAH (0.38) | — | |
| SCHEMBL2825306 | 0.73 | — | — | |
| SCHEMBL967486 | 0.71 | MLYCD (0.31) | — | |
| SCHEMBL1393704 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL27691077 | 0.67 | MLYCD (0.36) | — | |
| SCHEMBL27491582 | 0.65 | — | — | |
| SCHEMBL27655168 | 0.64 | — | — |
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-101977889-B | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO INC | 2013-12-04 | — | — | CN | disclosed |
| CN-101977889-A | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO INC | 2011-02-16 | — | — | CN | disclosed |
| CN-101627015-A | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarb | MITSUI CHEMICALS INC | 2010-01-13 | — | — | CN | disclosed |