⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2457849 | 0.83 | — | — | |
| SCHEMBL6442380 | 0.81 | — | — | |
| SCHEMBL9495002 | 0.75 | MAPK1 (0.40) | — | |
| SCHEMBL231813 | 0.73 | — | — | |
| SCHEMBL4977838 | 0.73 | — | — | |
| SCHEMBL28773361 | 0.71 | — | — | |
| SCHEMBL11766215 | 0.69 | — | — | |
| SCHEMBL703267 | 0.69 | — | — | |
| SCHEMBL7058458 | 0.67 | — | — | |
| SCHEMBL29260387 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983969-B1 | Method for removing metal contaminants from solution using mercapto-functional silica xerogels | DOW CORNING (US) | 2004-06-16 | — | — | EP | claimed |
| EP-0983969-A2 | Method for removing metal contaminants from solution using mercapto-functional silica xerogels | DOW CORNING CORPORATION (US) | 2000-03-08 | — | — | EP | claimed |
| US-6013187-A | CONTACTING SOLUTION COMPRISING METAL CONTAMINATE AND LIQUID PHASE OF ORGANOSILANE OR POLYORGANOSILOXANE WITH THE MERCAPTO-FUNCTIONAL SILICA XEROGEL HAVING SPECIFIC SURFACE AREA AND PORE DIAMETER AND VOLUME | DOW CORNING CORPORATION (US) | 2000-01-11 | — | — | US | claimed |
| US-9513407-B2 | Photochromic composition and optical article using photochromic composition | TOKUYAMA CORPORATION (JP) | 2016-12-06 | — | — | US | disclosed |
| EP-2700694-A1 | PHOTOCHROMIC COMPOSITION AND OPTICAL ARTICLE USING PHOTOCHROMIC COMPOSITION | Tokuyama Corporation (JP) | 2014-02-26 | — | — | EP | disclosed |
| US-20140043586-A1 | Photochromic Composition and Optical Article Using Photochromic Composition | TOKUYAMA CORPORATION (JP) | 2014-02-13 | — | — | US | disclosed |
| US-5120800-A | Boriding with borane compound having at least one boron-hydrogen bond and oxidizing | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0451819-A2 | Process for preparing modified-polyphenylene ether | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1991-10-16 | — | — | EP | disclosed |