⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2037090 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28190040 | 0.92 | — | — | |
| SCHEMBL677370 | 0.73 | — | — | |
| Pyruvate SCHEMBL598384 | 0.73 | — | — | |
| Acetic Acid SCHEMBL9212832 | 0.73 | — | — | |
| Acetic Acid SCHEMBL8107424 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL9812633 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL19920 | 0.71 | — | — | |
| Acetic Acid SCHEMBL11439971 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL9340210 | 0.71 | — | — |
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-105814092-B | Composition for hydrophilic cured product | 三井化学株式会社 | 2018-09-21 | — | — | CN | disclosed |
| CN-107430213-A | Hydrophilic optical feature monofilm and its layered product | 三井化学株式会社 | 2017-12-01 | — | — | CN | disclosed |