⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17220166 | 0.66 | TP53 (0.33) | — | |
| SCHEMBL13057406 | 0.66 | CYP3A4 (0.32) | — | |
| SCHEMBL24637625 | 0.65 | JUN (0.33) | — | |
| SCHEMBL919269 | 0.64 | MAPK1 (0.34) | — | |
| SCHEMBL18872286 | 0.63 | NPC1 (0.32) | — | |
| SCHEMBL12294045 | 0.63 | — | — | |
| SCHEMBL13408034 | 0.63 | TP53 (0.34) | — | |
| SCHEMBL2123135 | 0.62 | LMNA (0.41) | — | |
| SCHEMBL13057393 | 0.62 | — | — | |
| SCHEMBL2254553 | 0.62 | — | — |
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-20130281296-A1 | Compunds and processes that generate cyclopropenes and substituted cyclopropenes on demand | STEVENSON CHERYL D (US) | 2013-10-24 | — | — | US | claimed |
| WO-2012128780-A1 | COMPOUNDS AND PROCESSES THAT GENERATE CYCLOPROPENES AND SUBSTTITUTED CYCLOPROPENES ON DEMAND | PRAGMACHEM LLC (US) | 2012-09-27 | — | — | WO | claimed |
| US-20110232178-A1 | Compounds and processes that generate cyclopropenes and substituted cyclopropenes on demand | DAVIS JOHN PERRIN | 2011-09-29 | — | — | US | claimed |