⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16473140 | 0.92 | — | — | |
| SCHEMBL19486638 | 0.79 | — | — | |
| SCHEMBL16478895 | 0.75 | MEN1 (0.40) | — | |
| SCHEMBL17445954 | 0.60 | MAPT (0.55) | — | |
| SCHEMBL25837438 | 0.56 | MLYCD (0.35) | — | |
| SCHEMBL25837440 | 0.56 | MLYCD (0.34) | — | |
| SCHEMBL25837425 | 0.55 | ZDHHC20 (0.34) | — | |
| SCHEMBL25837426 | 0.55 | MLYCD (0.31) | — | |
| SCHEMBL25837452 | 0.55 | CA12 (0.34) | — | |
| SCHEMBL25837428 | 0.54 | ZDHHC20 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2704683-B1 | CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS | BASF SE (DE) | 2017-10-18 | — | — | EP | disclosed |
| US-9388206-B2 | Chromophores with perfluoroalkyl substituents | BASF SE (DE) | 2016-07-12 | — | — | US | disclosed |
| US-20140103635-A1 | CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS | BASF SE (DE) | 2014-04-17 | — | — | US | disclosed |