⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL28122670 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL11390068 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL11456022 | 0.83 | — | — | |
| Chloromethane SCHEMBL28170022 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL8054866 | 0.81 | — | — | |
| SCHEMBL7781238 | 0.79 | HCAR2 (0.41) | — | |
| SCHEMBL30658 | 0.79 | — | — | |
| SCHEMBL268278 | 0.79 | — | — | |
| SCHEMBL28051179 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL8965554 | 0.79 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2110390-B1 | POLYMERIZABLE COMPOSITION | ADEKA CORP (JP) | 2014-07-02 | — | — | EP | disclosed |
| US-5162189-A | Pressure sensitive, heat fusible, encapsulated | EASTMAN KODAK COMPANY (US) | 1992-11-10 | — | — | US | disclosed |
| US-5049469-A | Thermoplastic colloidial addition polymer | EASTMAN KODAK COMPANY (US) | 1991-09-17 | — | — | US | disclosed |