⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27883313 | 0.95 | — | — | |
| SCHEMBL44197 | 0.95 | — | — | |
| Methane SCHEMBL22749558 | 0.90 | — | — | |
| SCHEMBL27798770 | 0.90 | — | — | |
| SCHEMBL28988436 | 0.90 | — | — | |
| SCHEMBL28285000 | 0.90 | — | — | |
| SCHEMBL28072642 | 0.86 | — | — | |
| Butadiene SCHEMBL10934316 | 0.86 | — | — | |
| Benzene SCHEMBL28229669 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL28024869 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109225347-A | A kind of acetylene dimer solid-phase catalyst and preparation method thereof, application | 石河子大学 | 2019-01-18 | — | — | CN | claimed |
| CN-107827695-A | The method for manufacturing butadiene | 李瑞雪 | 2018-03-23 | — | — | CN | claimed |
| EP-1562880-B1 | PROCESS FOR THE SELECTIVE HYDROGENATION OF ALKYNES | CATALYTIC DISTILLATION TECH (US) | 2013-03-06 | — | — | EP | claimed |
| EP-0931042-B1 | PROCESS FOR CONCURRENT SELECTIVE HYDROGENATION OF ACETYLENES AND 1,2 BUTADIENE IN HYDROCARBON STREAMS | CATALYTIC DISTILLATION TECH (US) | 2002-07-24 | — | — | EP | claimed |
| CN-210945428-U | Acetylene gas removing device | 重庆化医长寿化工集团有限公司 | 2020-07-07 | — | — | CN | disclosed |
| CN-105749982-A | Acetylene dimerization nonaqueous-phase catalyst and application thereof | 石河子大学 | 2016-07-13 | — | — | CN | disclosed |