⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69879 | 0.69 | — | — | |
| SCHEMBL31424472 | 0.66 | RAD52 (0.36) | — | |
| SCHEMBL31634339 | 0.56 | LMNA (0.43) | — | |
| SCHEMBL11834767 | 0.56 | LMNA (0.43) | — | |
| SCHEMBL67272 | 0.54 | PLAU (0.43) | — | |
| SCHEMBL6491101 | 0.53 | — | — | |
| SCHEMBL31641924 | 0.53 | — | — | |
| SCHEMBL6790175 | 0.52 | CASP1 (0.30) | — | |
| SCHEMBL11601454 | 0.52 | PLAU (0.37) | — | |
| SCHEMBL11607518 | 0.51 | — | — |
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-2453496-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE | Konica Minolta Holdings, Inc. (JP) | 2012-05-16 | — | — | EP | disclosed |