⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3896290 | 0.83 | CA12 (0.31) | — | |
| SCHEMBL3955728 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL833965 | 0.71 | — | — | |
| Water SCHEMBL19837703 | 0.69 | — | — | |
| SCHEMBL16523968 | 0.67 | — | — | |
| SCHEMBL28045023 | 0.67 | — | — | |
| SCHEMBL27531771 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL28972503 | 0.65 | — | — | |
| SCHEMBL833964 | 0.63 | — | — | |
| SCHEMBL7771187 | 0.63 | TSHR (0.33) | — |
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-105492075-B | Inhibitors of viral replication, their preparation method and their therapeutical uses | HIVIH公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-101863912-A | Preparation method of cyclopropylboronic acid | SUZHOU LAKESTAR PHARMATECH CO LTD | 2010-10-20 | — | — | CN | disclosed |