⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6523333 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL24760 | 0.76 | — | — | |
| SCHEMBL10995550 | 0.76 | — | — | |
| SCHEMBL31004029 | 0.72 | — | — | |
| Bromide SCHEMBL29640683 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11149001 | 0.72 | — | — | |
| Phosphine SCHEMBL28328730 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL31267456 | 0.72 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL28721441 | 0.72 | — | — | |
| Fluoride SCHEMBL28328959 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230157290-A1 | ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF | JIANGSU YANGNONG CHEMICAL CO., LTD (CN) | 2023-05-25 | — | — | US | disclosed |
| US-4156735-A | SALIDIURETICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-05-29 | — | — | US | disclosed |
| US-4118501-A | SALIDIURETIC ACTIVITY | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-03 | — | — | US | disclosed |