⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1279693 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL30933020 | 0.67 | — | — | |
| SCHEMBL13974587 | 0.67 | — | — | |
| SCHEMBL25894648 | 0.67 | — | — | |
| SCHEMBL1397849 | 0.65 | — | — | |
| SCHEMBL23131912 | 0.63 | — | — | |
| SCHEMBL21211940 | 0.63 | — | — | |
| SCHEMBL22600397 | 0.63 | — | — | |
| SCHEMBL4517078 | 0.63 | — | — | |
| SCHEMBL23204975 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080287774-A1 | Magnetic Resonance Imaging and Spectroscopy Means and Methods Thereof | BRAIN WATCH LTD. (IL) | 2008-11-20 | — | — | US | disclosed |