⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6887364 | 0.73 | — | — | |
| SCHEMBL20510137 | 0.71 | — | — | |
| SCHEMBL836316 | 0.65 | — | — | |
| Ethylene SCHEMBL10717356 | 0.65 | — | — | |
| SCHEMBL4013624 | 0.65 | — | — | |
| SCHEMBL27077 | 0.63 | — | — | |
| SCHEMBL214876 | 0.63 | — | — | |
| SCHEMBL9269603 | 0.63 | — | — | |
| Acrylonitrile SCHEMBL29025626 | 0.63 | — | — | |
| SCHEMBL262579 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1008578-B1 | Process for the recovery of alpha-ethynylcarbinols | BASF AG (DE) | 2002-09-04 | — | — | EP | claimed |
| US-20050272963-A1 | Method for the production of acetylene alcohols | BASF AKTIENGESELLSCHAFT (DE) | 2005-12-08 | — | — | US | disclosed |
| CN-1675151-A | Method for the production of acetylene alcohols | BASF AG (DE) | 2005-09-28 | — | — | CN | disclosed |
| US-6316680-B1 | CONTINUOUS DISTILLATION FROM ACETYLENE AND A,B-UNSATURATED CARBONYL COMPOUND REACTION MIXTURE | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-13 | — | — | US | disclosed |