⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL3705061 | 0.80 | — | — | |
| Pyrimidine SCHEMBL3163212 | 0.80 | — | — | |
| Pyrimidine SCHEMBL27891987 | 0.80 | — | — | |
| Pyridine SCHEMBL5969174 | 0.80 | — | — | |
| Pyrimidine SCHEMBL27828571 | 0.79 | ALDH1A1 (0.30) | — | |
| Pyrimidine SCHEMBL27755630 | 0.78 | — | — | |
| Pyrimidine SCHEMBL10646 | 0.78 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL19437633 | 0.78 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL1846 | 0.78 | — | — | |
| Pyrimidine SCHEMBL2218253 | 0.75 | TSHR (0.47) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9981940-B2 | Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-05-29 | — | — | US | disclosed |
| US-9783509-B2 | Six-membered C-N-linked aryl sulfide derivatives and aryl sulfoxide derivatives as pest conrol agents | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-10-10 | — | — | US | disclosed |
| US-20160251321-A1 | SIX-MEMBERED C-N-LINKED ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE ERIVATVES AS PEST CONROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-09-01 | — | — | US | disclosed |
| US-20160145235-A1 | ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-05-26 | — | — | US | disclosed |
| US-20160130240-A1 | ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-05-12 | — | — | US | disclosed |
| US-7741485-B2 | Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds | BASF AKTIENGESELLSCHAFT (DE) | 2010-06-22 | — | — | US | disclosed |
| US-20060211577-A1 | Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-21 | — | — | US | disclosed |
| US-5877121-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-02 | — | — | US | disclosed |
| US-5877121-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-02 | — | — | US | disclosed |
| US-5877121-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-02 | — | — | US | disclosed |