⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7569267 | 0.97 | CYP1A2 (0.32) | — | |
| SCHEMBL5549308 | 0.78 | — | — | |
| SCHEMBL5552305 | 0.76 | — | — | |
| SCHEMBL5674126 | 0.75 | — | — | |
| SCHEMBL5699121 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL5674124 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL5675769 | 0.74 | — | — | |
| SCHEMBL5699124 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL5675765 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL3889908 | 0.71 | CYP1A2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498264-B2 | REACTING A CHLOROSILANE COMPOUND WITH ACRYLIC OR METHACRYLIC ACID IN THE PRESENCE OF A BASIC COMPOUND; PROTECTIVE HYDROLYSABLE COATINGS FOR SHIP BOTTOMS; NONTOXIC; POLLUTION CONTROL; KINETICS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| US-20020128503-A1 | Silyl (meth)acrylates having bulky substituent group and preparation thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-09-12 | — | — | US | disclosed |
| EP-1238980-A1 | Silyl (meth)acrylates having bulky substituent group and preparation thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-09-11 | — | — | EP | disclosed |