⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6437413 | 0.67 | MAPT (0.34) | — | |
| SCHEMBL11227564 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL10259660 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL11017584 | 0.64 | HSD17B10 (0.33) | — | |
| SCHEMBL1756501 | 0.61 | CES2 (0.38) | — | |
| SCHEMBL7214722 | 0.61 | CES2 (0.38) | — | |
| SCHEMBL219009 | 0.61 | CES2 (0.38) | — | |
| SCHEMBL25288039 | 0.60 | CA1 (0.39) | — | |
| SCHEMBL31436664 | 0.60 | HSD17B10 (0.32) | — | |
| SCHEMBL6242727 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1183405-A | Dichloro-tetrafluoro-ethoxy aniline and its preparing process | INST OF FUXIN FLUOROCHEM GENER (CN) | 1998-06-03 | — | — | CN | disclosed |