⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL110978 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL110979 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL18768374 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL3940520 | 0.78 | — | — | |
| SCHEMBL11689888 | 0.77 | — | — | |
| SCHEMBL21387545 | 0.77 | GABBR2 (0.32) | — | |
| SCHEMBL11689884 | 0.77 | — | — | |
| SCHEMBL19345739 | 0.77 | GABBR2 (0.32) | — | |
| SCHEMBL5985665 | 0.76 | — | — | |
| SCHEMBL5985660 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1337536-B1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEM PATENTS INC (US) | 2012-09-12 | — | — | EP | disclosed |
| US-7390861-B2 | Cationic group-3 catalyst system | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-06-24 | — | — | US | disclosed |
| US-20040033891-A1 | Cationic group-3 catalyst system | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-02-19 | — | — | US | disclosed |