⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058179 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11366810 | 0.75 | USP2 (0.39) | — | |
| SCHEMBL7004243 | 0.74 | — | — | |
| SCHEMBL8284978 | 0.74 | — | — | |
| SCHEMBL1683568 | 0.72 | — | — | |
| SCHEMBL3419419 | 0.72 | LMNA (0.46) | — | |
| SCHEMBL21916786 | 0.72 | EPHX1 (0.40) | — | |
| SCHEMBL6565717 | 0.69 | THRB (0.35) | — | |
| SCHEMBL24354108 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL2058022 | 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 |