⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9353733 | 0.79 | — | — | |
| SCHEMBL10246580 | 0.76 | — | — | |
| SCHEMBL8965873 | 0.73 | — | — | |
| SCHEMBL19495090 | 0.73 | — | — | |
| SCHEMBL23030406 | 0.73 | — | — | |
| SCHEMBL21855111 | 0.72 | — | — | |
| SCHEMBL26693816 | 0.70 | — | — | |
| SCHEMBL8965529 | 0.70 | — | — | |
| SCHEMBL14041810 | 0.70 | — | — | |
| SCHEMBL14150083 | 0.70 | TSHR (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040267045-A1 | Processes for producing (meth)acrylic acid compound | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-12-30 | — | — | US | disclosed |
| US-5068382-A | PROCESS FOR THE PRODUCTION OF ORGANOSILICON COMPOUNDS | HUELS AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | disclosed |