⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL27841791 | 0.82 | — | — | |
| SCHEMBL27857934 | 0.81 | SLC6A1 (0.31) | — | |
| SCHEMBL28099175 | 0.80 | CHRM2 (0.31) | — | |
| Pyrrolidine SCHEMBL28229892 | 0.79 | — | — | |
| Piperidine SCHEMBL28233752 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1042812 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29508586 | 0.75 | — | — | |
| SCHEMBL30675167 | 0.75 | — | — | |
| SCHEMBL30532723 | 0.75 | — | — | |
| Hydrazine SCHEMBL28121587 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104487441-B | It is useful for the reversible covalent pyrrolopyrimidine or pyrazolopyrimidine for the treatment of cancer and autoimmune disease | 普林斯匹亚生物制药公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103717602-B | Kinase inhibitors | 加利福尼亚大学董事会 | 2016-11-09 | — | — | CN | disclosed |