⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL18132315 | 0.96 | — | — | |
| SCHEMBL15068452 | 0.96 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.96 | — | — | |
| SCHEMBL324713 | 0.92 | — | — | |
| SCHEMBL3265050 | 0.92 | — | — | |
| SCHEMBL11244035 | 0.92 | — | — | |
| SCHEMBL6537240 | 0.92 | — | — | |
| SCHEMBL9358622 | 0.92 | — | — | |
| SCHEMBL4729227 | 0.92 | — | — | |
| Strontium SCHEMBL10626900 | 0.92 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024375-A | Preparation method of trans, trans-4-alkyl-4' -pentyl-3 (E) ene-bicyclohexane liquid crystal monomer | 阜阳欣奕华材料科技有限公司 | 2021-06-25 | — | — | CN | disclosed |
| US-8969624-B2 | Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions | EVONIK DEGUSSA GMBH (DE) | 2015-03-03 | — | — | US | disclosed |
| US-20140058101-A1 | New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions | EVONIK DEGUSSA GMBH (DE) | 2014-02-27 | — | — | US | disclosed |
| US-8618328-B2 | Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions | EVONIK DEGUSSA GMBH (DE) | 2013-12-31 | — | — | US | disclosed |
| US-20120245348-A1 | New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions | PLENIO HERBERT (DE) | 2012-09-27 | — | — | US | disclosed |
| US-20090253907-A1 | CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS | EVONIK DEGUSSA GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| EP-1894938-A1 | New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions | Evonik Degussa GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| CN-100355735-C | Method for preparing arylalkyne | BAYER CHEMICAL PRODUCT AG (DE) | 2007-12-19 | — | — | CN | disclosed |
| US-7148176-B2 | Production of novel phosphane ligands and use in catalytical reactions | DEGUSSA AG (DE) | 2006-12-12 | — | — | US | disclosed |
| CN-1517340-A | Method for preparing arylalkyne | ˹���ػ�ѧ��Ʒ�ɷ�����˾ | 2004-08-04 | — | — | CN | disclosed |
| US-20040068131-A1 | (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics | EVONIK DEGUSSA GMBH (DE) | 2004-04-08 | — | — | US | disclosed |