⚠ 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 | |
|---|---|---|---|---|
| Silicate SCHEMBL10405726 | 1.00 | — | — | |
| Silicate SCHEMBL37210 | 1.00 | — | — | |
| Silicate SCHEMBL9788168 | 1.00 | — | — | |
| Silicate SCHEMBL3964636 | 0.94 | — | — | |
| Silicate SCHEMBL7558842 | 0.94 | — | — | |
| Silicate SCHEMBL6721204 | 0.94 | — | — | |
| Silicate SCHEMBL223121 | 0.94 | — | — | |
| Silicate SCHEMBL8417524 | 0.94 | — | — | |
| Silicate SCHEMBL23282464 | 0.94 | — | — | |
| Silicate SCHEMBL11188118 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090286207-A1 | Dental composite stain | BAWA ANOOP K S | 2009-11-19 | — | — | US | disclosed |