⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL564332 | 0.59 | — | — | |
| SCHEMBL8008548 | 0.59 | — | — | |
| Methylisothiocyanate SCHEMBL3152 | 0.59 | — | — | |
| SCHEMBL2439268 | 0.59 | — | — | |
| SCHEMBL344363 | 0.59 | — | — | |
| SCHEMBL1534324 | 0.59 | — | — | |
| SCHEMBL6653692 | 0.59 | — | — | |
| SCHEMBL452053 | 0.59 | — | — | |
| SCHEMBL14164129 | 0.59 | — | — | |
| SCHEMBL9617070 | 0.59 | — | — |
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-101348468-A | P-isosulfhydryl phenyl five-membered nitrogen heterocyclic ring tetraacethyl chelate and preparation thereof | INST OF RADIOACTIVE MEDICINE C (CN) | 2009-01-21 | — | — | CN | disclosed |