⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28313364 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22534270 | 0.97 | — | — | |
| SCHEMBL9918957 | 0.87 | — | — | |
| SCHEMBL6615011 | 0.70 | — | — | |
| SCHEMBL27778886 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28358258 | 0.67 | — | — | |
| SCHEMBL28100634 | 0.67 | — | — | |
| SCHEMBL27447755 | 0.67 | — | — | |
| SCHEMBL4597937 | 0.65 | — | — | |
| SCHEMBL29170798 | 0.65 | — | — |
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-110234638-A | Heteroaryl phenoxy benzamide KAPPA opiates ligand | 辉瑞大药厂 | 2019-09-13 | — | — | CN | disclosed |
| CN-110036004-A | Inhibitors of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2019-07-19 | — | — | CN | disclosed |