⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896189 | 0.65 | — | — | |
| SCHEMBL8677458 | 0.62 | — | — | |
| SCHEMBL3624778 | 0.58 | — | — | |
| SCHEMBL26590 | 0.57 | — | — | |
| SCHEMBL389120 | 0.57 | — | — | |
| SCHEMBL367829 | 0.57 | — | — | |
| SCHEMBL6993586 | 0.56 | — | — | |
| SCHEMBL11109312 | 0.55 | — | — | |
| Benzene SCHEMBL9645806 | 0.55 | ALDH1A1 (0.32) | — | |
| Benzene SCHEMBL9139243 | 0.55 | ALDH1A1 (0.32) | — |
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-20200055233-A1 | METHOD AND SYSTEM FOR 3D PRINTING OF ELECTRICALLY CONDUCTIVE POLYMER STRUCTURES | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2020-02-20 | — | — | US | disclosed |