⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14524169 | 0.78 | — | — | |
| SCHEMBL7109028 | 0.75 | — | — | |
| SCHEMBL3817519 | 0.73 | — | — | |
| SCHEMBL28250268 | 0.73 | — | — | |
| SCHEMBL10308810 | 0.71 | — | — | |
| SCHEMBL4983672 | 0.71 | — | — | |
| SCHEMBL7601810 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL7071644 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL3058859 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL13104730 | 0.69 | — | — |
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-101553494-B | The polysiloxane compound of resistant to hydrolysis | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2016-05-11 | — | — | CN | disclosed |