⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28854563 | 0.63 | — | — | |
| SCHEMBL3193740 | 0.60 | — | — | |
| SCHEMBL15087504 | 0.59 | — | — | |
| SCHEMBL11990809 | 0.59 | — | — | |
| SCHEMBL8080713 | 0.59 | — | — | |
| SCHEMBL257494 | 0.56 | — | — | |
| Potassium SCHEMBL959269 | 0.56 | — | — | |
| SCHEMBL16140286 | 0.56 | — | — | |
| SCHEMBL17946280 | 0.56 | — | — | |
| SCHEMBL8966891 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663420-B2 | Cyclopropanation | ETH ZURICH (CH) | 2017-05-30 | — | — | US | disclosed |
| US-20160280617-A1 | CYCLOPROPANATION | ETH ZURICH (CH) | 2016-09-29 | — | — | US | disclosed |
| WO-2014160739-A2 | TRIFLUOROBORATE MASS SPECTROMETRIC TAGS | CELLMOSAIC INC. (US) | 2014-10-02 | — | — | WO | disclosed |