⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55980 | 0.79 | — | — | |
| SCHEMBL56651 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL20605268 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL2123232 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2123233 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL8078549 | 0.75 | — | — | |
| SCHEMBL10538421 | 0.75 | DNM1 (0.35) | — | |
| SCHEMBL7698918 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL23069455 | 0.74 | — | — | |
| SCHEMBL57303 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117716-B1 | OLIGOMERIC AND HIGH-MOLECULAR CONVERSION PRODUCTS OF ALLOPHANIC ACID ESTERS WITH NUCLEOPHILIC COMPOUNDS , AND THE USE THEREOF | BASF COATINGS AG (DE) | 2004-11-17 | — | — | EP | disclosed |
| US-6624280-B1 | OLIGOMERIC AND HIGH-MOLECULAR CONVERSION PRODUCTS OF ALLOPHANIC ACID ESTERS WITH NUCLEOPHILIC COMPOUNDS AND LOW-MOLECULAR, OLIGOMERIC AND HIGH-MOLECULAR COMPOUNDS WITH ALLOPHANATE SIDE AND/OR TERMINAL GROUPS, AND THE USE THEREOF | BASF COATINGS AG (DE) | 2003-09-23 | — | — | US | disclosed |
| EP-1117716-A1 | OLIGOMERIC AND HIGH-MOLECULAR CONVERSION PRODUCTS OF ALLOPHANIC ACID ESTERS WITH NUCLEOPHILIC COMPOUNDS AND LOW-MOLECULAR, OLIGOMERIC AND HIGH-MOLECULAR COMPOUNDS WITH ALLOPHANATE SIDE AND/OR TERMINAL GROUPS, AND THE USE THEREOF | BASF Coatings AG (DE) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000012578-A1 | OLIGOMERIC AND HIGH-MOLECULAR CONVERSION PRODUCTS OF ALLOPHANIC ACID ESTERS WITH NUCLEOPHILIC COMPOUNDS AND LOW-MOLECULAR, OLIGOMERIC AND HIGH-MOLECULAR COMPOUNDS WITH ALLOPHANATE SIDE AND/OR TERMINAL GROUPS, AND THE USE THEREOF | BASF COATINGS AG (DE) | 2000-03-09 | — | — | WO | disclosed |