⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16029825 | 0.79 | — | — | |
| SCHEMBL931533 | 0.74 | — | — | |
| SCHEMBL9025427 | 0.73 | — | — | |
| SCHEMBL1253974 | 0.73 | — | — | |
| SCHEMBL17006687 | 0.73 | — | — | |
| SCHEMBL11553807 | 0.70 | — | — | |
| SCHEMBL19281380 | 0.70 | — | — | |
| SCHEMBL5879404 | 0.70 | — | — | |
| SCHEMBL11134124 | 0.70 | — | — | |
| SCHEMBL669027 | 0.69 | — | — |
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-0714880-A1 | Bis(methylidene)-phenylene-derivatives | MERCK PATENT GmbH (DE) | 1996-06-05 | — | — | EP | disclosed |