⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27558370 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8860042 | 0.98 | PTGS1 (0.41) | — | |
| SCHEMBL18539026 | 0.77 | — | — | |
| SCHEMBL27875690 | 0.77 | GSR (0.46) | — | |
| SCHEMBL8892097 | 0.74 | NOS3 (0.53) | — | |
| SCHEMBL25661010 | 0.74 | — | — | |
| SCHEMBL2785221 | 0.74 | — | — | |
| SCHEMBL9423322 | 0.74 | NOS3 (0.53) | — | |
| SCHEMBL17434420 | 0.74 | NOS3 (0.53) | — | |
| SCHEMBL15911051 | 0.73 | GSR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997009333-A1 | NOVEL THIO-PHOSPHOORGANIC COMPOUNDS WITH PLANT PROTECTING ACTIVITY | SITRA FOUNDATION (FI) | 1997-03-13 | — | — | WO | disclosed |