⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24445830 | 0.73 | — | — | |
| SCHEMBL8824466 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL22219618 | 0.60 | — | — | |
| SCHEMBL16768935 | 0.53 | — | — | |
| SCHEMBL29100510 | 0.53 | — | — | |
| SCHEMBL23742295 | 0.52 | — | — | |
| SCHEMBL18403449 | 0.51 | — | — | |
| SCHEMBL14193280 | 0.51 | — | — | |
| SCHEMBL12629761 | 0.51 | — | — | |
| SCHEMBL26823665 | 0.49 | — | — |
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 |