⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17554010 | 0.73 | — | — | |
| SCHEMBL17083 | 0.66 | — | — | |
| SCHEMBL335412 | 0.65 | — | — | |
| SCHEMBL8759527 | 0.61 | — | — | |
| SCHEMBL317591 | 0.60 | — | — | |
| SCHEMBL18302909 | 0.60 | — | — | |
| SCHEMBL4632078 | 0.59 | — | — | |
| SCHEMBL6381599 | 0.59 | — | — | |
| SCHEMBL1242579 | 0.58 | — | — | |
| SCHEMBL9221230 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105778105-A | Synthesis of siloxane containing nitrile group and vinyl group at same time and preparation method of room-temperature addition type nitrile silicone rubber | 山东大学 | 2016-07-20 | — | — | CN | disclosed |