⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760299 | 0.79 | CA4 (0.35) | — | |
| SCHEMBL7067794 | 0.78 | — | — | |
| SCHEMBL9186887 | 0.77 | — | — | |
| SCHEMBL604354 | 0.77 | — | — | |
| SCHEMBL287796 | 0.77 | — | — | |
| SCHEMBL11457278 | 0.74 | — | — | |
| SCHEMBL28204962 | 0.74 | — | — | |
| SCHEMBL5320747 | 0.74 | — | — | |
| SCHEMBL7869640 | 0.74 | — | — | |
| SCHEMBL7068145 | 0.74 | CES1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017679-B1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEM CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-1017679-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999016754-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1999-04-08 | — | — | WO | disclosed |
| US-5849929-A | Process for the preparation of imidazoline nitroxyl | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1998-12-15 | — | — | US | disclosed |
| CN-1053428-A | Substituted pyridine compound | MONSANTO CO (US) | 1991-07-31 | — | — | CN | disclosed |
| US-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |