⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7179939 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL11792366 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6887437 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL22712842 | 0.77 | — | — | |
| SCHEMBL8616121 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL3163324 | 0.74 | — | — | |
| SCHEMBL3160168 | 0.74 | — | — | |
| Tert-Butylamine SCHEMBL28062341 | 0.71 | — | — | |
| SCHEMBL160024 | 0.70 | — | — | |
| SCHEMBL6648012 | 0.70 | — | — |
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-1505090-B1 | REACTIVE DILUENT COMPOSITION AND CURABLE RESIN COMPOSITION | NIPPON CATALYTIC CHEM IND (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-1505090-A1 | REACTIVE DILUENT COMPOSITION AND CURABLE RESIN COMPOSITION | Nippon Shokubai Co., Ltd. (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-6767980-B2 | ACTIVATED ENERGY RAY-CURABLE INK COMPOSITION FOR INK-JET PRINTING; VINYL ETHER GROUP-CONTAINING (METH)ACRYLIC ESTER | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-07-27 | — | — | US | disclosed |
| US-20030199655-A1 | Reactive diluent and curable resin composition | NIPPON SHOKUBAI CO., LTD. | 2003-10-23 | — | — | US | disclosed |