⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133782 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL30740491 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL8196710 | 0.95 | LMNA (0.31) | — | |
| SCHEMBL31533326 | 0.95 | — | — | |
| SCHEMBL8192131 | 0.95 | — | — | |
| SCHEMBL30525003 | 0.95 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL8367848 | 0.95 | LMNA (0.31) | — | |
| SCHEMBL8182551 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL8182874 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8469839 | 0.91 | — | — |
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-117396581-A | Stable AIGS film | 纳米系统公司 | 2024-01-12 | — | — | CN | disclosed |