⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27660771 | 0.84 | MEN1 (0.46) | — | |
| SCHEMBL27716094 | 0.81 | — | — | |
| Propyne SCHEMBL27606886 | 0.81 | — | — | |
| Ethyne SCHEMBL692869 | 0.79 | — | — | |
| SCHEMBL4969576 | 0.79 | — | — | |
| Biphenyl SCHEMBL28416844 | 0.78 | ALDH1A1 (0.60) | — | |
| SCHEMBL27774122 | 0.77 | MEN1 (0.40) | — | |
| Cyanide SCHEMBL28810429 | 0.76 | — | — | |
| SCHEMBL27827870 | 0.76 | — | — | |
| Methane SCHEMBL17800724 | 0.75 | — | — |
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-108658718-A | A kind of preparation method of trans-stilbene compounds | 温州大学 | 2018-10-16 | — | — | CN | disclosed |