⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5481523 | 1.00 | — | — | |
| SCHEMBL14413633 | 0.73 | — | — | |
| SCHEMBL24644386 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL27967342 | 0.72 | — | — | |
| SCHEMBL14359469 | 0.70 | — | — | |
| SCHEMBL10251387 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL6364414 | 0.67 | — | — | |
| SCHEMBL5469088 | 0.64 | — | — | |
| SCHEMBL1004302 | 0.61 | — | — | |
| SCHEMBL3857558 | 0.60 | — | — |
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-20070219389-A1 | Process for Production of Cyclopentenenitrile Derivatives | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2007-09-20 | — | — | US | disclosed |
| EP-1724255-A1 | PROCESS FOR PRODUCTION OF CYCLOPENTENENITRILE DERIVATIVES | Japan Science and Technology Agency (JP) | 2006-11-22 | — | — | EP | disclosed |