⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10690517 | 0.77 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL22401691 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL3882699 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL6753455 | 0.67 | — | — | |
| SCHEMBL19085952 | 0.64 | — | — | |
| SCHEMBL16749617 | 0.64 | — | — | |
| SCHEMBL14354845 | 0.62 | — | — | |
| SCHEMBL19819799 | 0.59 | — | — | |
| SCHEMBL22115 | 0.59 | — | — | |
| SCHEMBL10013263 | 0.59 | — | — |
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-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | claimed |
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | disclosed |