⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL224863 | 0.95 | — | — | |
| SCHEMBL224864 | 0.95 | — | — | |
| SCHEMBL8751532 | 0.76 | — | — | |
| SCHEMBL17354416 | 0.76 | — | — | |
| SCHEMBL6123442 | 0.74 | — | — | |
| SCHEMBL1401834 | 0.70 | — | — | |
| SCHEMBL12596414 | 0.67 | — | — | |
| SCHEMBL13685638 | 0.67 | — | — | |
| SCHEMBL2205115 | 0.64 | — | — | |
| SCHEMBL10363321 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966769-B1 | NOVEL ELECTRODE MATERIALS DERIVED FROM POLYQUINOID IONIC COMPOUNDS AND THEIR USES IN ELECTROCHEMICAL GENERATORS | ACEP INC (CA) | 2004-03-17 | — | — | EP | claimed |
| EP-0630031-B1 | Water cleanable thick film paste composition | DU PONT (US) | 2002-08-14 | — | — | EP | claimed |