⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790463 | 1.00 | — | — | |
| SCHEMBL789169 | 1.00 | — | — | |
| SCHEMBL15064155 | 1.00 | — | — | |
| SCHEMBL6590344 | 0.84 | — | — | |
| SCHEMBL6589755 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL13480319 | 0.80 | — | — | |
| SCHEMBL7551518 | 0.80 | — | — | |
| SCHEMBL14476451 | 0.80 | — | — | |
| SCHEMBL20888362 | 0.80 | — | — | |
| SCHEMBL7320198 | 0.80 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616473-B1 | MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE | CLARIANT INT LTD (CH) | 2016-11-09 | — | — | EP | disclosed |
| CN-103221416-B | Containing phosphate mixture, Its Preparation Method And Use | CLARIANT FINANCE (BVI) LTD. (VG) | 2016-04-20 | — | — | CN | disclosed |
| US-9174893-B2 | Synthesis of para-xylene and toluene | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2015-11-03 | — | — | US | disclosed |
| US-20130237732-A1 | SYNTHESIS OF PARA-XYLENE AND TOLUENE | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2013-09-12 | — | — | US | disclosed |
| EP-2616473-A2 | PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF | Clariant Finance (BV) Limited (VG) | 2013-07-24 | — | — | EP | disclosed |
| US-20130172457-A1 | Phosphorus-Containing Mixtures, Processes for Preparing Them and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-07-04 | — | — | US | disclosed |
| WO-2012034680-A2 | PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2012-03-22 | — | — | WO | disclosed |