⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4650845 | 0.73 | — | — | |
| SCHEMBL29096248 | 0.71 | — | — | |
| SCHEMBL28997396 | 0.71 | — | — | |
| SCHEMBL25173 | 0.69 | — | — | |
| Methane SCHEMBL28144392 | 0.67 | TP53 (0.30) | — | |
| Hydrogen Peroxide SCHEMBL374975 | 0.66 | TP53 (0.47) | — | |
| SCHEMBL377192 | 0.66 | — | — | |
| Water SCHEMBL4085909 | 0.66 | TP53 (0.38) | — | |
| Water SCHEMBL18229925 | 0.66 | — | — | |
| Methyl Alcohol SCHEMBL8763775 | 0.66 | TP53 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020085334-A1 | PHOTOCURABLE ADHESIVE COMPOSITION | 東亞合成株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2020085335-A1 | PRODUCTION METHOD FOR 2-CYANOACRYLATE COMPOUND AND PRODUCTION METHOD FOR PHOTOCURABLE ADHESIVE COMPOSITION | 東亞合成株式会社 | 2020-04-30 | — | — | WO | disclosed |