⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28180022 | 0.88 | PDE2A (0.30) | — | |
| SCHEMBL16408509 | 0.79 | — | — | |
| SCHEMBL14139620 | 0.77 | — | — | |
| SCHEMBL20876352 | 0.77 | PDE2A (0.30) | — | |
| SCHEMBL14286104 | 0.77 | — | — | |
| SCHEMBL13526019 | 0.77 | — | — | |
| SCHEMBL17318124 | 0.74 | — | — | |
| SCHEMBL28837812 | 0.74 | — | — | |
| SCHEMBL13757687 | 0.72 | — | — | |
| SCHEMBL16301870 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109232284-B | Polysubstituted enamine aldehyde derivative and preparation method thereof | 华侨大学 | 2021-05-11 | — | — | CN | claimed |
| CN-109232284-B | Polysubstituted enamine aldehyde derivative and preparation method thereof | 华侨大学 | 2021-05-11 | — | — | CN | disclosed |
| WO-2015085428-A1 | INSERTION POLYNORBORNENE-BASED THERMOSET RESINS | TRANSFERT PLUS, SOCIÉTÉ EN COMMANDITE (CA) | 2015-06-18 | — | — | WO | disclosed |