⚠ 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 | |
|---|---|---|---|---|
| Methanesulfonic Acid Methyl Ester SCHEMBL63290 | 0.95 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL16060132 | 0.95 | USP2 (1.00) | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL573583 | 0.95 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28902358 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28884811 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28791572 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL28093906 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL5666257 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL30084031 | 0.91 | — | — | |
| Methanesulfonic Acid Methyl Ester SCHEMBL27924001 | 0.91 | — | — |
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-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |