⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20943239 | 0.78 | — | — | |
| SCHEMBL48991 | 0.78 | — | — | |
| SCHEMBL7786440 | 0.78 | — | — | |
| SCHEMBL8759164 | 0.76 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL7440763 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL5831159 | 0.72 | TSHR (0.43) | — | |
| Hydrochloric Acid SCHEMBL875610 | 0.72 | — | — | |
| Iodide SCHEMBL1993156 | 0.72 | — | — | |
| SCHEMBL25344425 | 0.70 | — | — | |
| Guanidine SCHEMBL10824882 | 0.70 | — | — |
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-109153665-A | Novel 2-substituted indazoles, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments | 拜耳医药股份有限公司 | 2019-01-04 | — | — | CN | disclosed |