⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23701021 | 0.91 | — | — | |
| SCHEMBL719935 | 0.79 | — | — | |
| SCHEMBL704724 | 0.79 | — | — | |
| Butyl Chloride SCHEMBL27937108 | 0.75 | TSHR (0.69) | — | |
| SCHEMBL9191869 | 0.75 | TSHR (0.60) | — | |
| SCHEMBL16784959 | 0.73 | — | — | |
| SCHEMBL3397133 | 0.73 | — | — | |
| SCHEMBL28843699 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL706259 | 0.71 | — | — | |
| SCHEMBL3401221 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11807758-B2 | Siloxane polymer and method of producing siloxane polymer | JNC CORPORATION (JP) | 2023-11-07 | — | — | US | disclosed |
| US-20210238419-A1 | SILOXANE POLYMER AND METHOD OF PRODUCING SILOXANE POLYMER | JNC CORPORATION (JP) | 2021-08-05 | — | — | US | disclosed |