⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34276 | 0.80 | — | — | |
| SCHEMBL22493220 | 0.79 | — | — | |
| SCHEMBL29700130 | 0.78 | — | — | |
| SCHEMBL33925 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL19549245 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29530802 | 0.76 | — | — | |
| SCHEMBL1155767 | 0.72 | — | — | |
| Benzene SCHEMBL16828176 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3675738 | 0.72 | DCPS (0.31) | — | |
| SCHEMBL6944829 | 0.72 | PIK3CG (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100497348-C | Selenaza aromatic heterocyclic compound with anti-tumor activty and its preparation process and application | UNIV JINAN (CN) | 2009-06-10 | — | — | CN | claimed |
| CN-100999527-A | Selenaza aromatic heterocyclic compound with anti-tumor activty and its preparation process and application | UNIV JINAN (CN) | 2007-07-18 | — | — | CN | claimed |
| CN-100497348-C | Selenaza aromatic heterocyclic compound with anti-tumor activty and its preparation process and application | UNIV JINAN (CN) | 2009-06-10 | — | — | CN | disclosed |
| CN-100999527-A | Selenaza aromatic heterocyclic compound with anti-tumor activty and its preparation process and application | UNIV JINAN (CN) | 2007-07-18 | — | — | CN | disclosed |
| EP-1077981-B1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LTD (KR) | 2002-08-07 | — | — | EP | disclosed |
| EP-1077981-A1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LIMITED (KR) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058535-A1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LTD. (KR) | 1999-11-18 | — | — | WO | disclosed |
| EP-0566698-A1 | AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR | THE ROCKEFELLER UNIVERSITY (US) | 1993-10-27 | — | — | EP | disclosed |
| WO-1992011853-A1 | AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR | THE ROCKEFELLER UNIVERSITY (US) | 1992-07-23 | — | — | WO | disclosed |