⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5071748 | 0.81 | — | — | |
| SCHEMBL540782 | 0.75 | — | — | |
| SCHEMBL3549985 | 0.73 | — | — | |
| SCHEMBL13424703 | 0.72 | — | — | |
| SCHEMBL5080104 | 0.72 | — | — | |
| SCHEMBL19261875 | 0.72 | — | — | |
| SCHEMBL19284901 | 0.71 | — | — | |
| SCHEMBL20654131 | 0.71 | — | — | |
| SCHEMBL620318 | 0.71 | — | — | |
| SCHEMBL10400478 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018706-A1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |