⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008902 | 0.89 | — | — | |
| SCHEMBL20008930 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL20008896 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL20008899 | 0.81 | — | — | |
| SCHEMBL20008900 | 0.81 | — | — | |
| SCHEMBL13829081 | 0.79 | — | — | |
| SCHEMBL20008915 | 0.79 | — | — | |
| SCHEMBL20008931 | 0.78 | — | — | |
| SCHEMBL20009269 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL20008901 | 0.76 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180085019-A1 | ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-29 | — | — | US | disclosed |