⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14419415 | 0.77 | — | — | |
| SCHEMBL2849015 | 0.77 | — | — | |
| SCHEMBL2689788 | 0.72 | — | — | |
| SCHEMBL17508460 | 0.67 | — | — | |
| SCHEMBL91068 | 0.67 | PTPN1 (0.43) | — | |
| SCHEMBL11726952 | 0.67 | — | — | |
| SCHEMBL13590794 | 0.65 | — | — | |
| SCHEMBL237135 | 0.65 | — | — | |
| SCHEMBL2689006 | 0.61 | — | — | |
| SCHEMBL9730908 | 0.61 | — | — |
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-7612051-B2 | Silicone having alcoholic hydroxyl groups; little cohesion, excellent dispersibility and excellent stability over time | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |