⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12998331 | 0.84 | — | — | |
| SCHEMBL395068 | 0.76 | POLB (0.34) | — | |
| SCHEMBL410612 | 0.76 | POLB (0.34) | — | |
| SCHEMBL395069 | 0.76 | POLB (0.34) | — | |
| SCHEMBL31534014 | 0.74 | POLB (0.32) | — | |
| SCHEMBL2680848 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL27676726 | 0.73 | — | — | |
| SCHEMBL526020 | 0.71 | POLB (0.46) | — | |
| SCHEMBL14842493 | 0.71 | — | — | |
| SCHEMBL3915013 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8579428-B2 | Colorants | XEROX CORPORATION (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130184388-A1 | Colorants | XEROX CORPORATION (US) | 2013-07-18 | — | — | US | disclosed |
| EP-0892040-B1 | Use of Chelating compositions for cleaning | NIPPON CATALYTIC CHEM IND (JP) | 2003-03-05 | — | — | EP | disclosed |
| US-6103686-A | CAPABLE OF EFFECTIVELY SEQUESTERING A METAL ION AND PREVENTING THE METAL ION FROM BEING INSOLUBILIZED WITHOUT CAUSING POLLUTION OF THE ENVIRONMENT | NIPPON SHOKUBAI CO. LTD. (JP) | 2000-08-15 | — | — | US | disclosed |
| EP-0892040-A2 | Chelating composition | NIPPON SHOKUBAI CO., LTD. (JP) | 1999-01-20 | — | — | EP | disclosed |