⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47584 | 0.69 | NOS1 (0.32) | — | |
| SCHEMBL28612685 | 0.67 | — | — | |
| SCHEMBL1255436 | 0.63 | — | — | |
| SCHEMBL12601477 | 0.63 | — | — | |
| SCHEMBL3498234 | 0.63 | — | — | |
| SCHEMBL17707871 | 0.61 | — | — | |
| SCHEMBL5010520 | 0.61 | — | — | |
| SCHEMBL2163554 | 0.61 | — | — | |
| SCHEMBL28872527 | 0.59 | PRSS1 (0.31) | — | |
| SCHEMBL9251066 | 0.59 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379572-B1 | METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF | CLARIANT INT LTD (CH) | 2015-12-23 | — | — | EP | disclosed |
| EP-2379572-A1 | METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF | Clariant International Ltd. (CH) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010069420-A1 | METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-06-24 | — | — | WO | disclosed |