⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7803764 | 0.90 | — | — | |
| SCHEMBL15780050 | 0.90 | — | — | |
| SCHEMBL11305327 | 0.90 | — | — | |
| Butadiene SCHEMBL11224770 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL14361078 | 0.78 | — | — | |
| SCHEMBL7795305 | 0.77 | — | — | |
| SCHEMBL28910859 | 0.75 | TRPA1 (0.36) | — | |
| SCHEMBL18885808 | 0.75 | TRPA1 (0.36) | — | |
| SCHEMBL13653023 | 0.75 | — | — | |
| SCHEMBL24246441 | 0.75 | — | — |
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-10030165-B2 | Arylcyclobutenes | DOW GLOBAL TECHNOLOGIES LLC (US) | 2018-07-24 | — | — | US | disclosed |
| US-20170081550-A1 | ARYLCYCLOBUTENES | U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT | 2017-03-23 | — | — | US | disclosed |