⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5085735 | 0.94 | MRGPRX4 (0.31) | — | |
| SCHEMBL699809 | 0.83 | MEN1 (0.35) | — | |
| SCHEMBL699810 | 0.83 | MEN1 (0.35) | — | |
| SCHEMBL5086630 | 0.81 | MRGPRX4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28406677 | 0.81 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20703698 | 0.81 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20703700 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL21113702 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL20703699 | 0.79 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3321676 | 0.79 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1971577-A2 | PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS | Basell Polyolefine GmbH (DE) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007080081-A2 | PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |