⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24217587 | 0.60 | — | — | |
| SCHEMBL5997087 | 0.60 | — | — | |
| SCHEMBL3019277 | 0.55 | — | — | |
| SCHEMBL4886223 | 0.55 | — | — | |
| SCHEMBL1190737 | 0.53 | — | — | |
| SCHEMBL5846059 | 0.53 | — | — | |
| SCHEMBL31268253 | 0.53 | — | — | |
| SCHEMBL6502350 | 0.52 | — | — | |
| SCHEMBL4947249 | 0.52 | — | — | |
| SCHEMBL1189666 | 0.52 | — | — |
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-1529024-A1 | METHOD FOR THE PRODUCTION OF ACETYLENE ALCOHOLS | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004018399-A1 | METHOD FOR THE PRODUCTION OF ACETYLENE ALCOHOLS | BASF AKTIENGESELLSCHAFT (DE) | 2004-03-04 | — | — | WO | disclosed |