⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL106086 | 0.77 | — | — | |
| SCHEMBL6172729 | 0.72 | — | — | |
| SCHEMBL12855900 | 0.72 | — | — | |
| SCHEMBL19986 | 0.70 | — | — | |
| SCHEMBL23806729 | 0.69 | — | — | |
| SCHEMBL10032699 | 0.69 | — | — | |
| SCHEMBL22155628 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL19424085 | 0.67 | — | — | |
| SCHEMBL24700231 | 0.67 | — | — | |
| SCHEMBL18948491 | 0.67 | — | — |
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 |