⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42922 | 0.78 | — | — | |
| SCHEMBL239272 | 0.75 | — | — | |
| Dimethylamine SCHEMBL9903434 | 0.67 | ANPEP (0.30) | — | |
| SCHEMBL308930 | 0.66 | — | — | |
| SCHEMBL17613261 | 0.66 | — | — | |
| SCHEMBL308932 | 0.66 | — | — | |
| SCHEMBL28074670 | 0.65 | EPHX1 (0.41) | — | |
| SCHEMBL7682104 | 0.64 | — | — | |
| SCHEMBL7713475 | 0.63 | ADH1B (0.37) | — | |
| Hydrochloric Acid SCHEMBL740345 | 0.63 | — | — |
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-105829485-A | Photocurable Composition Having Adhesive Properties | 思美定株式会社 | 2016-08-03 | — | — | CN | disclosed |