⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31483482 | 0.97 | — | — | |
| Cyclopentene SCHEMBL8157049 | 0.91 | — | — | |
| Cyclohexene SCHEMBL1986964 | 0.91 | — | — | |
| SCHEMBL5775012 | 0.88 | — | — | |
| SCHEMBL7015046 | 0.84 | — | — | |
| Benzene SCHEMBL2416720 | 0.81 | CA1 (0.33) | — | |
| Cyclopropane SCHEMBL9351440 | 0.80 | FFAR3 (0.30) | — | |
| SCHEMBL31313730 | 0.80 | CA1 (0.40) | — | |
| SCHEMBL7793 | 0.80 | — | — | |
| Benzene SCHEMBL7906078 | 0.77 | CA1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1867638-A1 | Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2007-12-19 | — | — | EP | claimed |
| EP-2044035-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007144200-A1 | PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2007-12-21 | — | — | WO | disclosed |
| EP-1867638-A1 | Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2007-12-19 | — | — | EP | disclosed |