⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24445886 | 0.57 | — | — | |
| SCHEMBL12427007 | 0.54 | — | — | |
| SCHEMBL9817725 | 0.52 | CA1 (0.33) | — | |
| SCHEMBL19497340 | 0.52 | — | — | |
| SCHEMBL6741825 | 0.51 | — | — | |
| SCHEMBL11902960 | 0.50 | — | — | |
| SCHEMBL630768 | 0.48 | CA1 (0.58) | — | |
| SCHEMBL6407730 | 0.47 | — | — | |
| SCHEMBL989793 | 0.47 | — | — | |
| SCHEMBL22390 | 0.46 | — | — |
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-4001336-A1 | POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-05-25 | — | — | EP | disclosed |