⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20445765 | 1.00 | — | — | |
| SCHEMBL6862177 | 0.90 | — | — | |
| SCHEMBL1113525 | 0.82 | — | — | |
| SCHEMBL1112744 | 0.82 | — | — | |
| SCHEMBL1541785 | 0.82 | — | — | |
| SCHEMBL1112743 | 0.82 | — | — | |
| SCHEMBL1540947 | 0.82 | — | — | |
| SCHEMBL1541254 | 0.82 | — | — | |
| SCHEMBL1541252 | 0.82 | — | — | |
| SCHEMBL1113529 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3357903-B1 | METHOD FOR A CONTINUOUS PRODUCTION OF A Z-CYCLOOCTENE | STICHTING KATHOLIEKE UNIV (NL) | 2020-11-04 | — | — | EP | disclosed |
| EP-3357903-A1 | METHOD AND SYSTEM FOR A CONTINUOUS PRODUCTION OF A Z-CYCLOOCTENE | Stichting Katholieke Universiteit (NL) | 2018-08-08 | — | — | EP | disclosed |
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |