⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900965 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL900761 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL21332134 | 0.76 | — | — | |
| SCHEMBL13730904 | 0.74 | — | — | |
| SCHEMBL12474348 | 0.73 | — | — | |
| SCHEMBL2963924 | 0.72 | — | — | |
| SCHEMBL3465424 | 0.72 | HCAR1 (0.31) | — | |
| SCHEMBL225527 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL5919395 | 0.68 | LMNA (0.35) | — | |
| SCHEMBL2959533 | 0.68 | MEN1 (0.32) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| US-20130184465-A1 | Process for the synthesis of thio-triazolo-group containing compounds | BASF SE (DE) | 2013-07-18 | — | — | US | disclosed |
| WO-2012146598-A1 | PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 4-AMINO-2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES | BASF SE (DE) | 2012-11-01 | — | — | WO | disclosed |
| WO-2012146535-A1 | PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES | BASF SE (DE) | 2012-11-01 | — | — | WO | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |
| CN-101952279-A | Azolylmethyloxiranes, use thereof and agents containing the same | BASF SE | 2011-01-19 | — | — | CN | disclosed |
| CN-101945580-A | Azolylmethyloxiranes, use thereof and compositions comprising them | BASF SE | 2011-01-12 | — | — | CN | disclosed |
| US-20100317515-A1 | Azolylmethyloxiranes, use Thereof and Agents Containing the Same | BASF SE (DE) | 2010-12-16 | — | — | US | disclosed |
| US-20100311581-A1 | Azolylmethyloxiranes, use Thereof and Agents Containing the Same | BASF SE (DE) | 2010-12-09 | — | — | US | disclosed |
| CN-101902914-A | Azolylmethyloxiranes, use thereof and compositions comprising same | BASF SE | 2010-12-01 | — | — | CN | disclosed |
| US-20100273651-A1 | Azolylmethyloxiranes, use Thereof and Agents Containing the Same | BASF SE (DE) | 2010-10-28 | — | — | US | disclosed |
| EP-2235005-A2 | AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME | BASF SE (DE) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009077500-A2 | AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME | BASF SE (DE) | 2009-06-25 | — | — | WO | disclosed |