⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27940076 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL29617171 | 0.76 | — | — | |
| SCHEMBL28611328 | 0.76 | — | — | |
| SCHEMBL44830 | 0.76 | — | — | |
| SCHEMBL3474870 | 0.74 | — | — | |
| SCHEMBL3475839 | 0.74 | — | — | |
| SCHEMBL18131879 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL3684278 | 0.72 | — | — | |
| SCHEMBL10081215 | 0.72 | — | — | |
| SCHEMBL22016446 | 0.71 | CYP3A4 (0.35) | — |
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-2001094355-A1 | CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES | BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2001-12-13 | — | — | WO | disclosed |