⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6728601 | 0.75 | — | — | |
| SCHEMBL6728270 | 0.75 | — | — | |
| SCHEMBL6729386 | 0.72 | THRB (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL31037791 | 0.70 | ALDH1A1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL9287813 | 0.70 | — | — | |
| SCHEMBL344 | 0.67 | CA2 (0.41) | — | |
| SCHEMBL24543 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.67 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.67 | — | — | |
| SCHEMBL1007 | 0.67 | — | — |
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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020252679-A1 | A NEW TYPE OF BENZOXABOROLE-BASED ANTI-PNEUMOCOCCAL COMPOUNDS TARGETING LEUCYL-TRNA SYNTHETASE | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2020-12-24 | — | — | WO | claimed |
| EP-1242383-A1 | AZA COMPOUNDS HAVING NEURONAL ACTIVITY | GPI NIL Holdings, Inc. (US) | 2002-09-25 | — | — | EP | claimed |
| WO-2001036388-A1 | AZA COMPOUNDS HAVING NEURONAL ACTIVITY | GPI NIL HOLDINGS, INC. (US) | 2001-05-25 | — | — | WO | claimed |
| EP-0750499-A4 | CARBANILIDE ANTICOCCIDIALS | LILLY CO ELI (US) | 1998-02-04 | — | — | EP | claimed |
| EP-0750499-A1 | CARBANILIDE ANTICOCCIDIALS | ELI LILLY AND COMPANY (US) | 1997-01-02 | — | — | EP | claimed |
| US-5541224-A | ANIMAL FEEDS | ELI LILLY AND COMPANY (US) | 1996-07-30 | — | — | US | claimed |
| WO-1995024900-A1 | CARBANILIDE ANTICOCCIDIALS | ELI LILLY AND COMPANY (US) | 1995-09-21 | — | — | WO | claimed |
| US-4758623-A | Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents | SCHERING CORPORATION (US) | 1988-07-19 | — | — | US | claimed |
| WO-2020252679-A1 | A NEW TYPE OF BENZOXABOROLE-BASED ANTI-PNEUMOCOCCAL COMPOUNDS TARGETING LEUCYL-TRNA SYNTHETASE | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2020-12-24 | — | — | WO | disclosed |
| EP-3081559-B1 | AROMATIC COMPOUND AND APPLICATION FOR SAME | SUMITOMO CHEMICAL CO (JP) | 2019-05-15 | — | — | EP | disclosed |
| US-9573904-B2 | Aromatic compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-02-21 | — | — | US | disclosed |
| US-20160311775-A1 | AROMATIC COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-10-27 | — | — | US | disclosed |
| EP-3081559-A1 | AROMATIC COMPOUND AND APPLICATION FOR SAME | Sumitomo Chemical Company, Limited (JP) | 2016-10-19 | — | — | EP | disclosed |
| EP-1892256-B1 | AROMATIC POLYMER | SUMITOMO CHEMICAL CO (JP) | 2014-03-19 | — | — | EP | disclosed |
| US-4851596-A | Process for nucleus-chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0319316-A2 | Griseolic acid monoesters, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1989-06-07 | — | — | EP | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |
| EP-0292824-A1 | Process for the nuclear chlorination of aromatic hydrocarbons | BAYER AG (DE) | 1988-11-30 | — | — | EP | disclosed |
| US-4758623-A | Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents | SCHERING CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |
| US-4758623-A | Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents | SCHERING CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |