⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18745658 | 0.81 | — | — | |
| SCHEMBL3045134 | 0.80 | — | — | |
| SCHEMBL24114035 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL4443595 | 0.72 | — | — | |
| SCHEMBL3813594 | 0.70 | — | — | |
| SCHEMBL16376872 | 0.69 | — | — | |
| SCHEMBL8152015 | 0.69 | — | — | |
| SCHEMBL3045136 | 0.68 | — | — | |
| SCHEMBL25082500 | 0.68 | CYP2D6 (0.35) | — | |
| SCHEMBL598372 | 0.68 | TSHR (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2387900-A1 | Method for joining components together, in particular in the production of shoes | Bayer MaterialScience AG (DE) | 2011-11-23 | — | — | EP | disclosed |
| WO-2009056375-A1 | MODIFIED POLYURETHANE ADHESIVES | HENKEL AG & CO. KGAA (DE) | 2009-05-07 | — | — | WO | disclosed |
| EP-0862592-A1 | SINGLE-COMPONENT POLYURETHANE REACTION ADHESIVE | Henkel Kommanditgesellschaft auf Aktien (DE) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997019122-A1 | SINGLE-COMPONENT POLYURETHANE REACTION ADHESIVE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1997-05-29 | — | — | WO | disclosed |
| EP-0711313-A1 | ISOCYANATE/POLYOL REACTION RESIN | Henkel Kommanditgesellschaft auf Aktien (DE) | 1996-05-15 | — | — | EP | disclosed |
| EP-0703933-A1 | OPEN-PORE MOULDINGS FOR USE IN THE CONSTRUCTION INDUSTRY | Henkel Kommanditgesellschaft auf Aktien (DE) | 1996-04-03 | — | — | EP | disclosed |
| WO-1995000568-A1 | ISOCYANATE/POLYOL REACTION RESIN | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1995-01-05 | — | — | WO | disclosed |
| WO-1995000569-A1 | OPEN-PORE MOULDINGS FOR USE IN THE CONSTRUCTION INDUSTRY | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1995-01-05 | — | — | WO | disclosed |