⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL450465 | 0.65 | — | — | |
| SCHEMBL448317 | 0.65 | — | — | |
| SCHEMBL558752 | 0.65 | — | — | |
| SCHEMBL672185 | 0.65 | — | — | |
| SCHEMBL451629 | 0.65 | — | — | |
| SCHEMBL9170 | 0.65 | — | — | |
| SCHEMBL2465034 | 0.60 | — | — | |
| SCHEMBL7106917 | 0.60 | — | — | |
| SCHEMBL2305740 | 0.60 | — | — | |
| SCHEMBL558486 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822099-B2 | Triazole derivatives | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-11-21 | — | — | US | disclosed |
| EP-2984080-B1 | NOVEL TRIAZOLINTHIONE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2017-08-30 | — | — | EP | disclosed |
| EP-2984081-B1 | NOVEL TRIAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2017-08-09 | — | — | EP | disclosed |
| US-9550752-B2 | Triazolinthione derivatives | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-01-24 | — | — | US | disclosed |
| US-20160068516-A1 | NOVEL TRIAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-03-10 | — | — | US | disclosed |
| US-20160031851-A1 | NOVEL TRIAZOLINTHIONE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-04 | — | — | US | disclosed |