⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL8942536 | 0.94 | — | — | |
| Propene SCHEMBL8521324 | 0.94 | — | — | |
| Propene SCHEMBL82147 | 0.94 | — | — | |
| Propene SCHEMBL27949244 | 0.94 | — | — | |
| Propene SCHEMBL8190454 | 0.87 | TSHR (0.33) | — | |
| Propene SCHEMBL4948068 | 0.87 | TSHR (0.33) | — | |
| Propene SCHEMBL8064619 | 0.87 | — | — | |
| Propene SCHEMBL342422 | 0.87 | — | — | |
| Propene SCHEMBL8039600 | 0.87 | TSHR (0.33) | — | |
| Propene SCHEMBL8431129 | 0.87 | TSHR (0.33) | — |
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-111375494-A | Low-grade fine tin ore biological collector and preparation method and application thereof | 广西民族大学 | 2020-07-07 | — | — | CN | disclosed |