⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18175375 | 0.70 | — | — | |
| SCHEMBL197870 | 0.68 | — | — | |
| SCHEMBL16299498 | 0.67 | — | — | |
| SCHEMBL22440709 | 0.67 | MAPK1 (0.40) | — | |
| SCHEMBL276169 | 0.67 | — | — | |
| SCHEMBL27924710 | 0.67 | CYP2C19 (0.45) | — | |
| Fluoride SCHEMBL15416673 | 0.64 | — | — | |
| SCHEMBL8679906 | 0.63 | CYP2C19 (0.33) | — | |
| SCHEMBL10727883 | 0.63 | — | — | |
| SCHEMBL497317 | 0.62 | — | — |
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-107635649-A | Combination for the chemical addition agent of the water flux that improves film | LG 纳米水公司 | 2018-01-26 | — | — | CN | disclosed |