⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29674792 | 0.94 | — | — | |
| SCHEMBL8666193 | 0.94 | — | — | |
| Tetramethylammonium Ion SCHEMBL2298162 | 0.89 | NFKB1 (0.30) | — | |
| Tetramethylammonium Ion SCHEMBL13572231 | 0.87 | — | — | |
| SCHEMBL21748449 | 0.78 | NFKB1 (0.40) | — | |
| Potassium Ion SCHEMBL8214640 | 0.72 | NFKB1 (0.30) | — | |
| SCHEMBL19039716 | 0.71 | NFKB1 (0.40) | — | |
| SCHEMBL896776 | 0.71 | — | — | |
| SCHEMBL199775 | 0.71 | NFKB1 (0.40) | — | |
| SCHEMBL1606223 | 0.71 | DNM1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739372-B1 | DIAMINE PRECURSORS OF BLOCK COPOLYMERS AND METHOD OF MAKING SUCH DIAMINES | MINNESOTA MINING & MFG (US) | 1998-12-09 | — | — | EP | disclosed |
| EP-0739372-A1 | BLOCK COPOLYMER, METHOD OF MAKING THE SAME, DIAMINE PRECURSORS OF THE SAME, METHOD OF MAKING SUCH DIAMINES AND END PRODUCTS COMPRISING THE BLOCK COPOLYMER | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-30 | — | — | EP | disclosed |
| US-5512650-A | CATALYTIC POLYMERIZATION OF SILOXANES ENDCAPPED WITH AMINO DISILOXANES, TERMINATED WITH VOLATILE ACID; FOR FORMING POLYUREA, POLYURETHANE AND POLYETHER BLOCK COPOLYMERS; CESIUM AND RUBIDIUM CATALYSTS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-04-30 | — | — | US | disclosed |
| WO-1995003354-A1 | BLOCK COPOLYMER, METHOD OF MAKING THE SAME, DIAMINE PRECURSORS OF THE SAME, METHOD OF MAKING SUCH DIAMINES AND END PRODUCTS COMPRISING THE BLOCK COPOLYMER | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-02-02 | — | — | WO | disclosed |