⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27722251 | 1.00 | ALDH1A1 (0.39) | — | |
| SCHEMBL16924648 | 0.97 | ALDH1A1 (0.40) | — | |
| SCHEMBL25368 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30537233 | 0.95 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10349568 | 0.95 | — | — | |
| Iodide SCHEMBL28915883 | 0.95 | — | — | |
| SCHEMBL5573708 | 0.95 | — | — | |
| SCHEMBL30081949 | 0.95 | — | — | |
| Bromide SCHEMBL31686434 | 0.95 | ALDH1A1 (0.39) | — | |
| SCHEMBL29248745 | 0.95 | — | — |
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-109860675-B | New energy automobile fuel cell ion exchange membrane and preparation method thereof | 戴金燕 | 2020-12-01 | — | — | CN | claimed |
| CN-109860675-B | New energy automobile fuel cell ion exchange membrane and preparation method thereof | 戴金燕 | 2020-12-01 | — | — | CN | disclosed |