⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6036850 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL71521 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL15870623 | 0.74 | — | — | |
| SCHEMBL674161 | 0.72 | — | — | |
| SCHEMBL593360 | 0.70 | — | — | |
| SCHEMBL2791957 | 0.70 | — | — | |
| SCHEMBL3477891 | 0.70 | — | — | |
| SCHEMBL3393998 | 0.70 | — | — | |
| SCHEMBL5014823 | 0.69 | — | — | |
| SCHEMBL16229960 | 0.69 | — | — |
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-117981016-A | Composite compositions for forming (poly) silsesquioxanes | 罗伯特·博世有限公司 | 2024-05-03 | — | — | CN | disclosed |