⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5039204 | 0.88 | — | — | |
| SCHEMBL21827304 | 0.87 | — | — | |
| SCHEMBL19748687 | 0.87 | — | — | |
| SCHEMBL144755 | 0.87 | — | — | |
| SCHEMBL10584777 | 0.84 | — | — | |
| SCHEMBL3362869 | 0.82 | — | — | |
| SCHEMBL38358 | 0.82 | — | — | |
| SCHEMBL42053 | 0.79 | — | — | |
| SCHEMBL2212661 | 0.79 | — | — | |
| SCHEMBL6755873 | 0.79 | — | — |
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-1330309-B1 | CATALYST SYSTEM AND METHOD FOR CARBONYLATION | BASF AG (DE) | 2006-04-05 | — | — | EP | disclosed |
| US-6916954-B2 | Catalyst system and method for carbonylation | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-6723882-B2 | Preparation of dialkyl ketones | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-20 | — | — | US | disclosed |
| US-20030191339-A1 | Catalyst system and method for carbonylation | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-09 | — | — | US | disclosed |
| US-20030069450-A1 | Preparation of dialkyl ketones | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | US | disclosed |