⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16112144 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL16112145 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL7262162 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL27647624 | 0.71 | TET2 (0.32) | — | |
| SCHEMBL1965967 | 0.68 | TSHR (0.33) | — | |
| Hydrogen Peroxide SCHEMBL28392769 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL1965963 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL3630555 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL1415787 | 0.66 | TSHR (0.43) | — | |
| SCHEMBL2855633 | 0.66 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0605227-B1 | Compositions to increase the release force of silicone paper release coatings | DOW CORNING (US) | 1998-11-18 | — | — | EP | claimed |