⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7544944 | 0.82 | ACHE (0.33) | — | |
| SCHEMBL29844183 | 0.76 | CYP19A1 (0.32) | — | |
| SCHEMBL61361 | 0.76 | CYP19A1 (0.32) | — | |
| SCHEMBL1453940 | 0.75 | GPR3 (0.33) | — | |
| SCHEMBL4612462 | 0.75 | CYP19A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7196460 | 0.73 | CYP19A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2970565 | 0.73 | CYP11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8860745 | 0.73 | CYP11B1 (0.33) | — | |
| SCHEMBL1453871 | 0.72 | — | — | |
| SCHEMBL7055976 | 0.71 | CYP11B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693497-B1 | Process for the preparation of silicon-bridged asymmetric cyclopentadienyl-, indenyl- and fluorenyl-containing ligand systems | BOREALIS TECH OY (FI) | 2002-06-12 | — | — | EP | disclosed |
| EP-0693497-A2 | Process for the preparation of silicon-bridged asymmetric cyclopentadienyl-, indenyl- and fluorenyl-containing ligand systems | PCD-Polymere Gesellschaft m.b.H. (AT) | 1996-01-24 | — | — | EP | disclosed |