⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329934 | 0.83 | — | — | |
| SCHEMBL27885175 | 0.80 | — | — | |
| SCHEMBL28503941 | 0.78 | — | — | |
| SCHEMBL3418699 | 0.72 | — | — | |
| Styrene SCHEMBL27863582 | 0.71 | ALDH1A1 (0.52) | — | |
| SCHEMBL71521 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL6298240 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL19809180 | 0.70 | — | — | |
| SCHEMBL6893574 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL9436851 | 0.69 | — | — |
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-106103628-A | Adhesive composition using polyamideimide resin | 东洋纺株式会社 | 2016-11-09 | — | — | CN | disclosed |