⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL498067 | 0.79 | — | — | |
| SCHEMBL27419128 | 0.78 | — | — | |
| SCHEMBL28323876 | 0.75 | — | — | |
| SCHEMBL5203612 | 0.75 | — | — | |
| SCHEMBL18290964 | 0.75 | — | — | |
| SCHEMBL20877371 | 0.73 | CHRNB2 (0.37) | — | |
| SCHEMBL3431085 | 0.73 | SOAT1 (0.36) | — | |
| SCHEMBL20705080 | 0.73 | — | — | |
| SCHEMBL498124 | 0.72 | — | — | |
| SCHEMBL7065964 | 0.72 | CNR1 (0.41) | — |
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-1577302-A1 | NOVEL ETHYLENEDIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-09-21 | — | — | EP | disclosed |