⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7625195 | 0.80 | — | — | |
| SCHEMBL407180 | 0.79 | — | — | |
| SCHEMBL7761499 | 0.77 | — | — | |
| SCHEMBL28629159 | 0.76 | — | — | |
| SCHEMBL986985 | 0.76 | — | — | |
| SCHEMBL11911710 | 0.75 | — | — | |
| SCHEMBL1456192 | 0.74 | — | — | |
| SCHEMBL15801110 | 0.74 | NAAA (0.31) | — | |
| SCHEMBL576250 | 0.73 | — | — | |
| SCHEMBL10797040 | 0.73 | — | — |
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 2 patents. 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 |
| CN-113292591-A | Synthesis method and application of 1, 3-bis (isocyanatoalkyl) -1,1,3, 3-tetramethyldisiloxane | 唐山三孚新材料有限公司 | 2021-08-24 | — | — | CN | disclosed |