⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20972412 | 0.83 | BCHE (0.32) | — | |
| SCHEMBL20972467 | 0.81 | HSD17B10 (0.32) | — | |
| SCHEMBL22783954 | 0.81 | BCHE (0.32) | — | |
| SCHEMBL24182201 | 0.80 | BCHE (0.30) | — | |
| SCHEMBL29595917 | 0.80 | BCHE (0.30) | — | |
| SCHEMBL20972493 | 0.79 | — | — | |
| SCHEMBL27185370 | 0.77 | — | — | |
| SCHEMBL2762503 | 0.77 | KDM4E (0.35) | — | |
| SCHEMBL20972462 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL28424155 | 0.77 | BRD4 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1529051-B1 | GROUP 4 METAL COMPLEXES CONTAINING 4-ARYL-SUBSTITUTED, TRICYCLIC INDENYL DERIVATIVES | DOW GLOBAL TECHNOLOGIES INC (US) | 2008-07-02 | — | — | EP | disclosed |
| US-7087773-B2 | especially 1,5,6,7-tetrahydro-4-aryl-s-indacen-1-yl ligands of titanium, zirconium or hafnium such as dichloro[N-(1,1-dimethylethyl)-1,1-dimethyl-[1,2,3,3a,8a- eta )-1,5,6,7-tetrahydro-2-methyl-4-phenyl-s-indacen-1-yl]silanaminato(2-)-N] titanium; olefin polymerization catalysts; constrained geometry | DOW GLOBAL TECHNOLOGIES INC. (US) | 2006-08-08 | — | — | US | disclosed |
| US-20050261510-A1 | Group 4 metal complexes containing 4-aryl-substituted, tricyclic indenyl derivatives | DOW GLOBAL TECHNOLOGIES LLC | 2005-11-24 | — | — | US | disclosed |