⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2790509 | 0.80 | THRB (0.32) | — | |
| SCHEMBL3687235 | 0.76 | — | — | |
| SCHEMBL10434061 | 0.76 | — | — | |
| SCHEMBL3681243 | 0.76 | — | — | |
| SCHEMBL6279245 | 0.73 | — | — | |
| SCHEMBL14274361 | 0.71 | — | — | |
| SCHEMBL12847808 | 0.67 | — | — | |
| SCHEMBL9974873 | 0.67 | — | — | |
| SCHEMBL11920590 | 0.67 | — | — | |
| SCHEMBL1312654 | 0.64 | — | — |
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-0671385-B1 | Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound | NIPPON PAINT CO LTD (JP) | 1998-10-14 | — | — | EP | disclosed |
| US-5663423-A | Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound | NIPPON PAINT CO., LTD (JP) | 1997-09-02 | — | — | US | disclosed |
| US-5532360-A | REACTING WITH AZOMETHINE COMPOUND TO FORM HETEROCYCLIC COMPOUND | NIPPON PAINT CO., LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0671385-A1 | Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound | Nippon Paint Co., Ltd. (JP) | 1995-09-13 | — | — | EP | disclosed |