⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4543625 | 0.83 | — | — | |
| SCHEMBL10445996 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL1081557 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081546 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL19732912 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1590056 | 0.75 | — | — | |
| SCHEMBL44332 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL532679 | 0.73 | — | — | |
| SCHEMBL1123481 | 0.73 | — | — | |
| SCHEMBL19847490 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1038902-A1 | Condensation polymers containing dialkylamide endgroups, process for their production and applications thereof | DSM N.V. (NL) | 2000-09-27 | — | — | EP | disclosed |
| EP-1036106-A1 | CONDENSATION POLYMER CONTAINING HYDROXYALKYLAMIDE GROUPS | DSM N.V. (NL) | 2000-09-20 | — | — | EP | disclosed |
| EP-0912500-A1 | CATALYST FOR THE REACTION BETWEEN A COMPOUND THAT CAN REACT WITH ISOCYANATE GROUPS AND AN ALIPHATIC DIISOCYANATE WITH ONE ISOCYANATE GROUP BOUND TO A PRIMARY CARBON ATOM AND ONE ISOCYANATE GROUP BOUND TO A TERTIARY CARBON ATOM | DSM N.V. (NL) | 1999-05-06 | — | — | EP | disclosed |
| WO-1999016810-A1 | CONDENSATION POLYMER CONTAINING HYDROXYALKYLAMIDE GROUPS | DSM N.V. (NL) | 1999-04-08 | — | — | WO | disclosed |
| WO-1998055550-A1 | POWDER-PAINT BINDER COMPOSITION | DSM N.V. (NL) | 1998-12-10 | — | — | WO | disclosed |
| WO-1998052995-A1 | METHOD FOR THE PRODUCTION OF A BRANCHED MACROMOLECULE, THE BRANCHED MACROMOLECULE AND USES THEREOF | DSM N.V. (NL) | 1998-11-26 | — | — | WO | disclosed |
| WO-1997046517-A1 | CATALYST FOR THE REACTION BETWEEN A COMPOUND THAT CAN REACT WITH ISOCYANATE GROUPS AND AN ALIPHATIC DIISOCYANATE WITH ONE ISOCYANATE GROUP BOUND TO A PRIMARY CARBON ATOM AND ONE ISOCYANATE GROUP BOUND TO A TERTIARY CARBON ATOM | DSM N.V. (NL) | 1997-12-11 | — | — | WO | disclosed |
| US-5334637-A | Isocyanatocarboxylic acids, a process for their preparation and their use in coating compositions as cross-linking agents | BAYER AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |
| EP-0153561-A1 | Diisocyanates and their use in the production of polyurethane plastics | BAYER AG (DE) | 1985-09-04 | — | — | EP | disclosed |