⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872570 | 0.78 | — | — | |
| SCHEMBL3823285 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL9714448 | 0.75 | — | — | |
| SCHEMBL8353905 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL3819135 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL2517669 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL3822473 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL2514547 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL2991283 | 0.73 | — | — | |
| SCHEMBL7029205 | 0.73 | TSHR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200250-B1 | IMPROVING THE QUALITY OF CATALYTICALLY PREPARED POLYALKYLENE POLYAMINES | UNION CARBIDE CORPORATION (US) | 1993-06-23 | — | — | EP | disclosed |
| US-4827037-A | Quality of catalytically prepared polyalkylene polyamines | UNION CARBIDE CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0200250-A2 | Improving the quality of catalytically prepared polyalkylene polyamines | UNION CARBIDE CORPORATION (US) | 1986-11-05 | — | — | EP | disclosed |
| EP-0197612-A2 | Interchangeable process scheme | UNION CARBIDE CORPORATION (US) | 1986-10-15 | — | — | EP | disclosed |
| US-4552961-A | BY-PRODUCT INHIBITION | UNION CARBIDE CORPORATION (US) | 1985-11-12 | — | — | US | disclosed |