⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL869227 | 1.00 | — | — | |
| SCHEMBL2364331 | 0.92 | — | — | |
| SCHEMBL2238628 | 0.78 | — | — | |
| SCHEMBL11416975 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL17703988 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL31299795 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL2241486 | 0.72 | — | — | |
| SCHEMBL4374658 | 0.71 | — | — | |
| SCHEMBL7877974 | 0.70 | — | — | |
| SCHEMBL5632597 | 0.70 | — | — |
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-1100774-B1 | IMPROVED ARYLAMINE SYNTHESIS | MASSACHUSETTS INST TECHNOLOGY (US) | 2004-01-21 | — | — | EP | disclosed |