⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25328751 | 0.61 | CYP3A4 (0.30) | — | |
| SCHEMBL10586842 | 0.58 | — | — | |
| SCHEMBL12500889 | 0.57 | — | — | |
| SCHEMBL1232062 | 0.57 | — | — | |
| SCHEMBL18316486 | 0.55 | — | — | |
| SCHEMBL9623477 | 0.55 | — | — | |
| SCHEMBL8816870 | 0.55 | — | — | |
| SCHEMBL31717955 | 0.53 | — | — | |
| SCHEMBL29273639 | 0.49 | RAPGEF4 (0.38) | — | |
| Sulfuric Acid SCHEMBL29787211 | 0.49 | CA5A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102666620-A | Hydrophilically-modified silicone compositions | DOW CORNING | 2012-09-12 | — | — | CN | disclosed |