⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29407301 | 0.86 | HSD11B1 (0.32) | — | |
| SCHEMBL14810962 | 0.73 | HSD11B1 (0.30) | — | |
| SCHEMBL10641772 | 0.71 | — | — | |
| SCHEMBL27492743 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL7378319 | 0.68 | DPP4 (0.36) | — | |
| SCHEMBL6967777 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL25349137 | 0.68 | — | — | |
| SCHEMBL27651560 | 0.68 | — | — | |
| SCHEMBL25349142 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6338693 | 0.67 | DPP4 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2104526-A | — | — | None | — | — | JP | disclosed |
| JP-H02104526-A | COMPOSITION FOR TREATMENT OF HYPERTENSION | HOECHST AG | 1990-04-17 | — | — | JP | disclosed |