⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL30492612 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30492650 | 0.97 | — | — | |
| SCHEMBL21389623 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL6867435 | 0.73 | — | — | |
| SCHEMBL5388380 | 0.71 | — | — | |
| SCHEMBL30636 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL22437 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL6910973 | 0.69 | TSHR (0.47) | — | |
| SCHEMBL25201304 | 0.67 | — | — | |
| SCHEMBL22233969 | 0.67 | TSHR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111518145-A | Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof | 荆楚理工学院 | 2020-08-11 | — | — | CN | claimed |
| CN-111518145-A | Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof | 荆楚理工学院 | 2020-08-11 | — | — | CN | disclosed |