⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL918864 | 0.72 | — | — | |
| SCHEMBL4240133 | 0.68 | — | — | |
| SCHEMBL3415616 | 0.68 | — | — | |
| SCHEMBL625988 | 0.67 | — | — | |
| SCHEMBL6756473 | 0.67 | — | — | |
| SCHEMBL27944742 | 0.67 | — | — | |
| SCHEMBL31649011 | 0.65 | — | — | |
| SCHEMBL15751388 | 0.64 | — | — | |
| SCHEMBL28156900 | 0.64 | — | — | |
| SCHEMBL3294330 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639576-B1 | Organopolysiloxanes having a silanol group and process of making them | SHINETSU CHEMICAL CO (JP) | 2000-10-11 | — | — | EP | claimed |