⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2005856 | 0.82 | TRPA1 (0.39) | — | |
| SCHEMBL95729 | 0.76 | — | — | |
| SCHEMBL28902605 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL27729555 | 0.74 | HDAC4 (0.32) | — | |
| SCHEMBL17134315 | 0.74 | — | — | |
| SCHEMBL185790 | 0.73 | MIF (0.41) | — | |
| SCHEMBL3611373 | 0.72 | — | — | |
| SCHEMBL1167332 | 0.72 | — | — | |
| SCHEMBL1071254 | 0.72 | TAAR1 (0.30) | — | |
| SCHEMBL5755296 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2927218-B1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-07-04 | — | — | EP | disclosed |
| US-9725423-B2 | Tetrazolinone compound and applications thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20150299146-A1 | TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| EP-2927218-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-07 | — | — | EP | disclosed |
| CN-104822666-A | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL CO | 2015-08-05 | — | — | CN | disclosed |