⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22229553 | 0.81 | — | — | |
| SCHEMBL7977052 | 0.78 | CHRM2 (0.35) | — | |
| SCHEMBL29980358 | 0.71 | CHRM2 (0.30) | — | |
| SCHEMBL28086744 | 0.70 | — | — | |
| SCHEMBL28230338 | 0.68 | — | — | |
| SCHEMBL22229586 | 0.68 | — | — | |
| SCHEMBL27995183 | 0.67 | — | — | |
| SCHEMBL27995181 | 0.64 | — | — | |
| SCHEMBL1770363 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL19838189 | 0.63 | CHRM2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022215759-A2 | SILOXANE POLYMER COMPOSITION, CURED PRODUCT, ELECTRONIC COMPONENT, OPTICAL COMPONENT, AND COMPOSITE MEMBER | JNC株式会社 | 2022-10-13 | — | — | WO | disclosed |