⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14899163 | 0.74 | HRH3 (0.30) | — | |
| SCHEMBL17789 | 0.71 | — | — | |
| SCHEMBL12093536 | 0.65 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL4845985 | 0.64 | — | — | |
| SCHEMBL63739 | 0.64 | — | — | |
| SCHEMBL30115266 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1204751 | 0.62 | LTA4H (0.41) | — | |
| Hydrochloric Acid SCHEMBL22692042 | 0.62 | LTA4H (0.41) | — | |
| SCHEMBL8238248 | 0.61 | LTA4H (0.41) | — | |
| SCHEMBL3015025 | 0.60 | ALDH1A1 (0.46) | — |
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-2012027261-A1 | SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES | AMGEN INC. (US) | 2012-03-01 | — | — | WO | disclosed |