⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL157138 | 0.82 | — | — | |
| Fluoride SCHEMBL8839901 | 0.80 | — | — | |
| Methacrylic Acid SCHEMBL5177569 | 0.78 | ALDH1A1 (0.32) | — | |
| Acetic Acid SCHEMBL28784120 | 0.75 | — | — | |
| Ethylene Glycol SCHEMBL5436848 | 0.74 | TDP1 (0.31) | — | |
| SCHEMBL5077896 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL218928 | 0.69 | — | — | |
| Urethane SCHEMBL6557740 | 0.69 | ALOX15 (0.54) | — | |
| Formaldehyde SCHEMBL28156076 | 0.67 | — | — | |
| Ethylene SCHEMBL27809701 | 0.67 | — | — |
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-103492466-B | Substrate film and method for producing same | 株式会社LG化学 | 2017-02-15 | — | — | CN | disclosed |
| CN-103492433-B | solvent-free composition and preparation method thereof | 株式会社LG化学 | 2016-12-14 | — | — | CN | disclosed |