⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27477289 | 0.93 | — | — | |
| SCHEMBL27525205 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8460983 | 0.81 | — | — | |
| SCHEMBL27479392 | 0.79 | — | — | |
| SCHEMBL27514996 | 0.79 | — | — | |
| SCHEMBL27477290 | 0.78 | — | — | |
| SCHEMBL27479742 | 0.77 | — | — | |
| SCHEMBL27525218 | 0.77 | — | — | |
| SCHEMBL8621182 | 0.76 | — | — | |
| SCHEMBL27390338 | 0.76 | GABRA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1190399-A | Process for converting achiral meso form or racemate of ansa-metallocene complex or mixtures thereof into one of its enantiomers | BASF AG (DE) | 1998-08-12 | — | — | CN | disclosed |