⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319700 | 1.00 | — | — | |
| SCHEMBL319701 | 1.00 | — | — | |
| SCHEMBL10535311 | 0.92 | TSHR (0.53) | — | |
| Oxirane SCHEMBL11791673 | 0.87 | — | — | |
| SCHEMBL21107979 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL10442071 | 0.77 | — | — | |
| SCHEMBL1555104 | 0.77 | — | — | |
| SCHEMBL1555108 | 0.77 | — | — | |
| SCHEMBL10442072 | 0.77 | — | — | |
| SCHEMBL9507314 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616473-B1 | MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE | CLARIANT INT LTD (CH) | 2016-11-09 | — | — | EP | disclosed |
| US-20160213664-A1 | TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS | AEGIS THERAPEUTICS, LLC | 2016-07-28 | — | — | 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 |