⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9341617 | 0.96 | — | — | |
| Bromide SCHEMBL9065630 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3897185 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9066497 | 0.84 | — | — | |
| Biphenyl SCHEMBL9066582 | 0.83 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7210370 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9066965 | 0.77 | — | — | |
| SCHEMBL2236520 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL62666 | 0.74 | — | — | |
| SCHEMBL4726667 | 0.72 | — | — |
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-0316155-B1 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | CHISSO CORP (JP) | 1996-02-07 | — | — | EP | disclosed |
| US-4931417-A | Transition-metal compound having a bis-substituted-cyclopentadienyl ligand of bridged structure | CHISSO CORPORATION (JP) | 1990-06-05 | — | — | US | disclosed |
| EP-0316155-A2 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | Chisso Corporation (JP) | 1989-05-17 | — | — | EP | disclosed |