⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26272557 | 0.76 | — | — | |
| SCHEMBL25588972 | 0.76 | — | — | |
| SCHEMBL19143807 | 0.74 | — | — | |
| SCHEMBL24525718 | 0.74 | — | — | |
| SCHEMBL19291394 | 0.72 | — | — | |
| SCHEMBL15250019 | 0.72 | — | — | |
| SCHEMBL25589133 | 0.70 | — | — | |
| SCHEMBL20170069 | 0.70 | — | — | |
| SCHEMBL24224789 | 0.70 | — | — | |
| SCHEMBL27256519 | 0.70 | — | — |
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-101035788-B | Process for the preparation of halogenated rylen-carboximides by halogenation of rylene-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water | BASF AG | 2013-01-23 | — | — | CN | disclosed |
| CN-101068790-A | Rylene tetracarboxylic acid diimides substituted by cyclic amino groups | BASF AG (DE) | 2007-11-07 | — | — | CN | disclosed |
| CN-101035788-A | Halogenation of rylen-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water, wherein the hydrogen halide formed is continuously removed from the organic solvent | BASF AG (DE) | 2007-09-12 | — | — | CN | disclosed |