⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18936294 | 1.00 | — | — | |
| SCHEMBL597200 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL597199 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL18936278 | 0.82 | NPSR1 (0.30) | — | |
| SCHEMBL18936295 | 0.82 | NPSR1 (0.42) | — | |
| SCHEMBL18936297 | 0.82 | NPSR1 (0.42) | — | |
| SCHEMBL18936279 | 0.82 | NPSR1 (0.30) | — | |
| SCHEMBL18936276 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL18936277 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL166090 | 0.76 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3178813-A1 | METHOD FOR PREPARING HALOGENATED 3-OXOCARBOXYLATES CARRYING A 2-ALKOXYMETHYLIDENE OR A 2-DIALKYLAMINOMETHYLIDENE GROUP | BASF SE (DE) | 2017-06-14 | — | — | EP | disclosed |