⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8047297 | 0.93 | — | — | |
| SCHEMBL8047301 | 0.93 | — | — | |
| SCHEMBL7101091 | 0.93 | — | — | |
| SCHEMBL15850803 | 0.80 | — | — | |
| SCHEMBL14515526 | 0.80 | — | — | |
| SCHEMBL3611896 | 0.77 | PPM1D (0.32) | — | |
| SCHEMBL3611894 | 0.77 | PPM1D (0.32) | — | |
| SCHEMBL12353915 | 0.75 | — | — | |
| SCHEMBL14718599 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL12957319 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0994882-B1 | MANUFACTURE OF OPTICALLY ACTIVE HALOHYDRIN TRIALKYLSILYL ETHERS | DU PONT (US) | 2003-09-10 | — | — | EP | disclosed |
| US-6207847-B1 | REACTING AN EPOXIDE WITH AN AZIDOTRIMETHYLSILANE; THEN HYDROCARBON HALIDE | E. I. DU PONT DE NEMOURS AND COMPANY | 2001-03-27 | — | — | US | disclosed |