⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23613642 | 0.71 | — | — | |
| SCHEMBL13653880 | 0.69 | — | — | |
| SCHEMBL8673481 | 0.69 | — | — | |
| SCHEMBL13653878 | 0.69 | — | — | |
| SCHEMBL1252077 | 0.69 | SLC7A5 (0.50) | — | |
| SCHEMBL1276976 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL17137643 | 0.69 | — | — | |
| SCHEMBL349894 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL13478254 | 0.67 | — | — | |
| SCHEMBL23876289 | 0.67 | — | — |
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-7399367-B2 | Rust-preventive water-oil separating cleaner composition and a cleaning method using the same | NICCA CHEMICAL CO., LTD. (JP) | 2008-07-15 | — | — | US | disclosed |
| US-20070173425-A1 | Rust-preventive water-oil separating cleaner composition and a cleaning method using the same | NICCA CHEMICAL CO., LTD. (JP) | 2007-07-26 | — | — | US | disclosed |
| EP-1683853-A1 | ANTIRUST OIL WATER SEPARATION TYPE DETERGENT COMPOSITION AND METHOD OF CLEANING | Nicca Chemical Co., Ltd. (JP) | 2006-07-26 | — | — | EP | disclosed |