⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16359309 | 0.81 | — | — | |
| SCHEMBL6722444 | 0.79 | — | — | |
| SCHEMBL9508848 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL5215551 | 0.77 | SMN1; SMN2 (0.37) | — | |
| Acetic Acid SCHEMBL9466139 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL11914186 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL11914182 | 0.73 | — | — | |
| SCHEMBL2161007 | 0.73 | TSHR (0.47) | — | |
| SCHEMBL15826906 | 0.72 | — | — | |
| SCHEMBL1254462 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150094284-A1 | S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES, INC. | 2015-04-02 | — | — | US | claimed |
| EP-1789039-A4 | S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES INC (US) | 2009-08-05 | — | — | EP | claimed |
| JP-2008510828-A | — | — | 2008-04-10 | — | — | JP | claimed |
| EP-1789039-A2 | S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | Ardea Biosciences, Inc. (US) | 2007-05-30 | — | — | EP | claimed |
| WO-2006026356-A2 | S-TRIAZOLYL α-MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES, INC. (US) | 2006-03-09 | — | — | WO | claimed |
| EP-2609917-A1 | Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-2402011-B1 | S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2433633-A1 | Triazolyl alpha -mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2402011-A1 | Intermediates in the synthesis of S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-01-04 | — | — | EP | disclosed |