⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11291153 | 0.72 | — | — | |
| SCHEMBL2059977 | 0.70 | — | — | |
| SCHEMBL42320 | 0.70 | — | — | |
| SCHEMBL23239991 | 0.68 | — | — | |
| SCHEMBL12423514 | 0.67 | — | — | |
| SCHEMBL4932377 | 0.67 | — | — | |
| SCHEMBL19782 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL8975953 | 0.67 | — | — | |
| SCHEMBL31306179 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL1115597 | 0.67 | — | — |
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-102947319-B | Method and tertiary phosphine for phosphine oxides is reduced into corresponding tertiary phosphine in the presence of a catalyst is used for reducing in the presence of a catalyst the purposes of phosphine oxides | 克罗马福拉公司 | 2016-11-09 | — | — | CN | disclosed |
| EP-1171407-B1 | BUTANEDIOL PRODUCTION | ARCO CHEM TECH (US) | 2004-01-28 | — | — | EP | disclosed |
| EP-1171407-A1 | BUTANEDIOL PRODUCTION | ARCO Chemical Technology, L.P. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000063143-A1 | BUTANEDIOL PRODUCTION | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 2000-10-26 | — | — | WO | disclosed |
| US-6127584-A | Butanediol production | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 2000-10-03 | — | — | US | disclosed |
| US-4017550-A | CATALYTIC HYDROFORMYLATION OF CYCLIC ACETALS OF ACROLEIN, HYDROGENATION | BASF AKTIENGESELLSCHAFT (DT) | 1977-04-12 | — | — | US | disclosed |