⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1459548 | 0.58 | — | — | |
| SCHEMBL809291 | 0.55 | — | — | |
| SCHEMBL168279 | 0.55 | — | — | |
| SCHEMBL31218518 | 0.50 | — | — | |
| SCHEMBL3084255 | 0.50 | — | — | |
| SCHEMBL1470083 | 0.50 | — | — | |
| SCHEMBL2262404 | 0.50 | — | — | |
| SCHEMBL128461 | 0.50 | — | — | |
| SCHEMBL4987055 | 0.47 | — | — | |
| SCHEMBL834410 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220324891-A1 | COMPOSITIONS AND METHODS FOR PREPARING REGIO- AND STEREOSELECTIVE ALICYCLIC ALKENE ISOTOPOLOGUES AND STEREOISOTOPOMERS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2022-10-13 | — | — | US | disclosed |
| WO-2020257299-A1 | COMPOSITIONS AND METHODS FOR PREPARING REGIO- AND STEREOSELECTIVE ALICYCLIC ALKENE ISOTOPOLOGUES AND STEREOISOTOPOMERS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2020-12-24 | — | — | WO | disclosed |