⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7924100 | 0.98 | — | — | |
| SCHEMBL28032269 | 0.95 | — | — | |
| SCHEMBL8143578 | 0.79 | — | — | |
| SCHEMBL15914681 | 0.73 | — | — | |
| SCHEMBL4064770 | 0.71 | — | — | |
| Bromide SCHEMBL7883955 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27429851 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7059989 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27429850 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7888004 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945444-A | Raw material for preparing barium metallocene complex and preparation method of barium metallocene complex | GUANGDONG DANBOND TECHNOLOGY CO LTD | 2015-09-30 | — | — | CN | disclosed |