⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28028502 | 0.84 | — | — | |
| SCHEMBL28062283 | 0.83 | — | — | |
| SCHEMBL28073190 | 0.76 | — | — | |
| SCHEMBL27531382 | 0.73 | — | — | |
| SCHEMBL27640971 | 0.71 | — | — | |
| Bicarbonate SCHEMBL27449725 | 0.68 | ADORA3 (0.32) | — | |
| SCHEMBL27589759 | 0.64 | CYP3A4 (0.30) | — | |
| SCHEMBL27499002 | 0.64 | — | — | |
| SCHEMBL27497533 | 0.62 | — | — | |
| SCHEMBL7370607 | 0.59 | — | — |
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-104812790-A | Organopolysiloxane graft polymer | KAO CORP | 2015-07-29 | — | — | CN | disclosed |