⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1608792 | 0.74 | — | — | |
| SCHEMBL18165112 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL3988761 | 0.74 | — | — | |
| SCHEMBL28450781 | 0.73 | — | — | |
| SCHEMBL28994593 | 0.70 | — | — | |
| SCHEMBL1607982 | 0.69 | DNM1 (0.35) | — | |
| SCHEMBL9897972 | 0.69 | CHRM2 (0.33) | — | |
| SCHEMBL7594477 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL1608812 | 0.67 | — | — | |
| 2-Methoxyethanol SCHEMBL28035880 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101125859-B | Silane compound, organic electrolyte solution using the silane compound, and lithium battery using the organic electrolyte solution | SAMSUNG SDI CO LTD | 2013-09-04 | — | — | CN | disclosed |
| CN-101125859-A | Silane compound, organic electrolyte solution using the silane compound, and lithium battery using the organic electrolyte solution | SAMSUNG SDI CO LTD (KR) | 2008-02-20 | — | — | CN | disclosed |