⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10754842 | 0.68 | — | — | |
| SCHEMBL7975732 | 0.67 | — | — | |
| SCHEMBL54608 | 0.65 | — | — | |
| SCHEMBL539827 | 0.64 | — | — | |
| SCHEMBL21525749 | 0.61 | — | — | |
| Water SCHEMBL31612958 | 0.60 | — | — | |
| SCHEMBL30986704 | 0.60 | — | — | |
| SCHEMBL243840 | 0.60 | — | — | |
| Methoxymethane SCHEMBL16535139 | 0.60 | — | — | |
| SCHEMBL21857977 | 0.57 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9890127-B2 | Compounds and compositions for the treatment of cancer | THE BROAD INSTITUTE, INC. (US) | 2018-02-13 | — | — | US | disclosed |
| US-20180002296-A1 | S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES, INC. | 2018-01-04 | — | — | US | disclosed |
| US-20160016913-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | THE BROAD INSTITUTE, INC. (US) | 2016-01-21 | — | — | US | disclosed |
| US-20150094284-A1 | S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES, INC. | 2015-04-02 | — | — | US | disclosed |
| US-8946273-B2 | S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-8552043-B2 | N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| US-8481581-B2 | S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120283301-A1 | S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES INC. (US) | 2012-11-08 | — | — | US | disclosed |
| US-8252828-B2 | S-triazolyl α-mercapto acetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES, INC. (US) | 2012-08-28 | — | — | US | disclosed |
| US-20120077981-A1 | N[S(4-ARYL-TRIAZOL-3-YL)ALPHA-MERCAPTOACETYL]-P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC. (US) | 2012-03-29 | — | — | US | disclosed |
| US-20110313157-A1 | S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES INC. (US) | 2011-12-22 | — | — | US | disclosed |
| US-20110190491-A1 | S-TRIAZOLE ALPHA- MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES, INC. (US) | 2011-08-04 | — | — | US | disclosed |