⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5621142 | 0.76 | — | — | |
| SCHEMBL7558118 | 0.73 | — | — | |
| SCHEMBL993272 | 0.71 | PIK3CD (0.47) | — | |
| SCHEMBL9705943 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL8392902 | 0.67 | CHRM5 (0.41) | — | |
| SCHEMBL5543146 | 0.66 | ERCC1 (0.46) | — | |
| SCHEMBL3140369 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL8393336 | 0.65 | CYP1A2 (0.55) | — | |
| SCHEMBL5535754 | 0.65 | L3MBTL1 (0.42) | — | |
| SCHEMBL5543388 | 0.64 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000154155-A | NEW HALOGENATING AGENT AND PRODUCTION OF ACID HALIDE USING THE SAME | MITSUI CHEMICALS INC | 2000-06-06 | — | — | JP | disclosed |