⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7194754 | 0.90 | — | — | |
| SCHEMBL9580448 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL3215239 | 0.65 | — | — | |
| SCHEMBL27992589 | 0.65 | — | — | |
| SCHEMBL1615799 | 0.65 | — | — | |
| SCHEMBL7785949 | 0.64 | HSD11B1 (0.33) | — | |
| SCHEMBL727186 | 0.64 | PLA2G1B (0.34) | — | |
| SCHEMBL28256196 | 0.64 | PLA2G1B (0.34) | — | |
| SCHEMBL20703058 | 0.63 | — | — | |
| SCHEMBL3207936 | 0.63 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8378139-B2 | Continuous oligomerization of isocyanates | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2013-02-19 | — | — | US | claimed |
| US-20110218314-A1 | CONTINUOUS OLIGOMERIZATION OF ISOCYANATES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(C.N.R (FR) | 2011-09-08 | — | — | US | claimed |
| EP-1917283-A1 | PROCESS AND COMPOSITION FOR THE PREPARATION OF TRANSPARENT POLYURETHANES AND POLYURETHANES OBTAINED THEREFROM | Resal S.R.L. (IT) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007015273-A1 | PROCESS AND COMPOSITION FOR THE PREPARATION OF TRANSPARENT POLYURETHANES AND POLYURETHANES OBTAINED THEREFROM | RESAL S.R.L. (IT) | 2007-02-08 | — | — | WO | disclosed |
| EP-1382626-A1 | Modified isocyanates | Rhodia Chimie (FR) | 2004-01-21 | — | — | EP | disclosed |
| EP-1007579-B1 | METHOD FOR MASKING POLYISOCYANATES IN EMULSION | RHODIA CHIMIE SA (FR) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002012366-A1 | POLYISOCYANATE COMPOSITION | RHODIA CHIMIE (FR) | 2002-02-14 | — | — | WO | disclosed |
| EP-1129120-A1 | MODIFIED ISOCYANATES | RHODIA CHIMIE (FR) | 2001-09-05 | — | — | EP | disclosed |
| EP-1007579-A1 | METHOD FOR MASKING POLYISOCYANATES IN EMULSION | RHODIA CHIMIE (FR) | 2000-06-14 | — | — | EP | disclosed |
| WO-2000020477-A1 | MODIFIED ISOCYANATES | RHODIA CHIMIE (FR) | 2000-04-13 | — | — | WO | disclosed |
| WO-1999010402-A1 | METHOD FOR MASKING POLYISOCYANATES IN EMULSION | RHODIA CHIMIE (FR) | 1999-03-04 | — | — | WO | disclosed |