⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6637336 | 0.71 | — | — | |
| SCHEMBL12335859 | 0.69 | — | — | |
| SCHEMBL24097975 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL22937447 | 0.67 | — | — | |
| SCHEMBL23982983 | 0.67 | — | — | |
| SCHEMBL22054773 | 0.65 | — | — | |
| SCHEMBL24520755 | 0.65 | — | — | |
| SCHEMBL21208543 | 0.65 | — | — | |
| SCHEMBL25307 | 0.65 | — | — | |
| SCHEMBL14507221 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103180317-A | Heteroarylpiperidine and piperazine derivatives as fungicides | BAYER IP GMBH | 2013-06-26 | — | — | CN | claimed |
| CN-117693500-A | Carboxamide derivative and agricultural/horticultural plant disease control agent | 组合化学工业株式会社 | 2024-03-12 | — | — | CN | disclosed |
| CN-108026271-A | The macromolecule conjugate of 6 coordinate platinum complex | 日本化药株式会社 | 2018-05-11 | — | — | CN | disclosed |
| WO-2017081003-A1 | SUBSTITUTED PYRAZOLOPYRIDINAMINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-05-18 | — | — | WO | disclosed |
| CN-103180317-A | Heteroarylpiperidine and piperazine derivatives as fungicides | BAYER IP GMBH | 2013-06-26 | — | — | CN | disclosed |
| EP-2391612-A1 | Isothiazolyloxyphenyl amidines and use thereof as fungicides | Bayer CropScience AG (DE) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086118-A1 | ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-08-05 | — | — | WO | disclosed |
| EP-2102199-A1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | AstraZeneca AB (SE) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008068470-A1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-12 | — | — | WO | disclosed |
| EP-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |
| CN-1100090-A | amine derivatives of oxo-and hydroxy-substituted hydrocarbons | NARHEX LTD (HK) | 1995-03-15 | — | — | CN | disclosed |