⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17971270 | 0.70 | — | — | |
| SCHEMBL25445755 | 0.63 | — | — | |
| SCHEMBL17961005 | 0.60 | — | — | |
| SCHEMBL24506594 | 0.58 | — | — | |
| SCHEMBL17975426 | 0.57 | — | — | |
| SCHEMBL24202157 | 0.56 | TRPA1 (0.34) | — | |
| SCHEMBL20622918 | 0.55 | — | — | |
| SCHEMBL20622919 | 0.54 | — | — | |
| SCHEMBL22003249 | 0.54 | — | — | |
| SCHEMBL10049571 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3712198-A1 | METHODS OF MAKING MERCAPTANIZED VINYLNORBORNENE COMPOSITIONS | Chevron Phillips Chemical Company LP (US) | 2020-09-23 | — | — | EP | disclosed |