⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL392007 | 0.83 | — | — | |
| SCHEMBL30448312 | 0.76 | — | — | |
| SCHEMBL28979788 | 0.76 | — | — | |
| SCHEMBL30448633 | 0.72 | — | — | |
| SCHEMBL575412 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL15157901 | 0.69 | — | — | |
| SCHEMBL7765083 | 0.68 | — | — | |
| SCHEMBL153057 | 0.68 | — | — | |
| SCHEMBL395344 | 0.68 | — | — | |
| SCHEMBL48388 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115869867-A | Microcapsule containing polyurethane/urea resin wall material of siloxane and preparation method thereof | 湖南大学 | 2023-03-31 | — | — | CN | disclosed |