⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26221617 | 1.00 | — | — | |
| SCHEMBL13447533 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL4117397 | 0.73 | — | — | |
| SCHEMBL27996932 | 0.73 | — | — | |
| SCHEMBL2526519 | 0.73 | — | — | |
| SCHEMBL2168792 | 0.73 | — | — | |
| SCHEMBL10764478 | 0.73 | — | — | |
| SCHEMBL16590794 | 0.73 | — | — | |
| SCHEMBL7544434 | 0.73 | — | — | |
| SCHEMBL8571749 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0755913-A1 | Process for preparing of 2,4-dibromo-4- and -3-fluorobutanoic acid as well as their derivatives | BAYER AG (DE) | 1997-01-29 | — | — | EP | disclosed |