⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2729572 | 0.75 | — | — | |
| SCHEMBL4898698 | 0.72 | — | — | |
| SCHEMBL40928 | 0.63 | — | — | |
| SCHEMBL399794 | 0.63 | — | — | |
| Iodomethane SCHEMBL3965948 | 0.62 | — | — | |
| SCHEMBL3145056 | 0.62 | — | — | |
| SCHEMBL770613 | 0.58 | — | — | |
| SCHEMBL9474069 | 0.58 | — | — | |
| Ammonia Solution, Strong SCHEMBL15440386 | 0.58 | — | — | |
| SCHEMBL20591919 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006078698-A1 | 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES | CENGENT THERAPEUTICS, INC. (US) | 2006-07-27 | — | — | WO | disclosed |
| EP-0900225-A1 | ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041129-A1 | ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1997-11-06 | — | — | WO | disclosed |
| EP-0367789-A1 | PROCESS FOR THE ISOMERIZATION OF SYMMETRIC TRIAZOLES TO UNSYMMETRIC TRIAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-16 | — | — | EP | disclosed |
| WO-1988010255-A1 | PROCESS FOR THE ISOMERIZATION OF SYMMETRIC TRIAZOLES TO UNSYMMETRIC TRIAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-12-29 | — | — | WO | disclosed |