⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12475548 | 0.78 | — | — | |
| SCHEMBL3198996 | 0.74 | DNM1 (0.44) | — | |
| SCHEMBL3211079 | 0.74 | OPRM1 (0.42) | — | |
| SCHEMBL3271017 | 0.72 | PTPN7 (0.40) | — | |
| Hexane SCHEMBL27748725 | 0.69 | TSHR (0.64) | — | |
| Hexane SCHEMBL1048428 | 0.69 | TSHR (0.64) | — | |
| SCHEMBL27494430 | 0.69 | TSHR (0.81) | — | |
| Water SCHEMBL27972168 | 0.69 | — | — | |
| Hexane SCHEMBL11583413 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL481198 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337536-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | ExxonMobil Chemical Patents Inc. (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002032909-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-04-25 | — | — | WO | disclosed |