⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL386020 | 0.70 | — | — | |
| SCHEMBL5576 | 0.65 | — | — | |
| SCHEMBL7566138 | 0.65 | — | — | |
| SCHEMBL27620666 | 0.60 | — | — | |
| SCHEMBL27744747 | 0.60 | — | — | |
| SCHEMBL15941612 | 0.60 | — | — | |
| SCHEMBL27793499 | 0.60 | — | — | |
| Fluoride SCHEMBL28174006 | 0.60 | — | — | |
| SCHEMBL5145674 | 0.56 | — | — | |
| SCHEMBL1387260 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |