⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4187747 | 0.82 | — | — | |
| SCHEMBL29001199 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL29135160 | 0.72 | — | — | |
| SCHEMBL15107772 | 0.71 | — | — | |
| SCHEMBL375323 | 0.71 | — | — | |
| SCHEMBL16705798 | 0.71 | — | — | |
| SCHEMBL9907082 | 0.70 | — | — | |
| SCHEMBL5606052 | 0.70 | — | — | |
| SCHEMBL6254138 | 0.69 | — | — | |
| SCHEMBL233544 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9720139-B2 | Polymerizable polysiloxanes with hydrophilic substituents | NOVARTIS AG (CH) | 2017-08-01 | — | — | US | disclosed |
| US-20170176643-A1 | POLYMERIZABLE POLYSILOXANES WITH HYDROPHILIC SUBSTITUENTS | ALCON INC. (CH) | 2017-06-22 | — | — | US | disclosed |
| US-9637582-B2 | Polymerizable polysiloxanes with hydrophilic substituents | NOVARTIS AG (CH) | 2017-05-02 | — | — | US | disclosed |
| US-20160090432-A1 | POLYMERIZABLE POLYSILOXANES WITH HYDROPHILIC SUBSTITUENTS | ALCON INC. (CH) | 2016-03-31 | — | — | US | disclosed |