⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16814737 | 0.78 | — | — | |
| SCHEMBL19591091 | 0.75 | SMPD1 (0.44) | — | |
| SCHEMBL19368290 | 0.75 | — | — | |
| SCHEMBL595044 | 0.74 | — | — | |
| SCHEMBL15315253 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL19478198 | 0.73 | — | — | |
| SCHEMBL10197580 | 0.72 | LTA4H (0.33) | — | |
| SCHEMBL24754053 | 0.72 | SMPD1 (0.53) | — | |
| SCHEMBL1345911 | 0.71 | DPP4 (0.51) | — | |
| SCHEMBL16002534 | 0.71 | CYP19A1 (0.38) | — |
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-2012084928-A1 | RADIOIODINATED GUANIDINES | GE HEALTHCARE LIMITED (GB) | 2012-06-28 | — | — | WO | disclosed |