⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL27509879 | 0.87 | — | — | |
| Ethyne SCHEMBL27682009 | 0.87 | — | — | |
| Ethyne SCHEMBL11118593 | 0.87 | — | — | |
| Ethyne SCHEMBL163020 | 0.87 | — | — | |
| Ethyne SCHEMBL4180865 | 0.75 | — | — | |
| Ethyne SCHEMBL4174371 | 0.75 | — | — | |
| Ethyne SCHEMBL11861627 | 0.75 | — | — | |
| Ethyne SCHEMBL9302185 | 0.75 | — | — | |
| Ethyne SCHEMBL1072332 | 0.75 | — | — | |
| SCHEMBL6906983 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316680-B1 | CONTINUOUS DISTILLATION FROM ACETYLENE AND A,B-UNSATURATED CARBONYL COMPOUND REACTION MIXTURE | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-13 | — | — | US | disclosed |