⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11284027 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL816678 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL817483 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL817366 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL296842 | 1.00 | TP53 (0.33) | — | |
| Water SCHEMBL11313706 | 1.00 | — | — | |
| SCHEMBL707 | 1.00 | — | — | |
| SCHEMBL817643 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL952473 | 1.00 | TP53 (0.33) | — | |
| SCHEMBL11841939 | 1.00 | — | — |
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-1948248-A2 | MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY MEANS AND METHODS THEREOF | Katz-Brull, Rachel (IL) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007052274-A2 | MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY MEANS AND METHODS THEREOF | BRAIN WATCH LTD. (IL) | 2007-05-10 | — | — | WO | disclosed |