⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4296803 | 0.76 | — | — | |
| SCHEMBL2409906 | 0.74 | — | — | |
| SCHEMBL1630164 | 0.70 | — | — | |
| SCHEMBL16196002 | 0.70 | — | — | |
| SCHEMBL127322 | 0.70 | — | — | |
| SCHEMBL8854658 | 0.70 | — | — | |
| SCHEMBL183392 | 0.70 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL1854813 | 0.69 | HCAR2 (0.56) | — | |
| Acrylic Acid Methyl Ester SCHEMBL7645157 | 0.69 | HCAR2 (0.56) | — | |
| Acrylic Acid Methyl Ester SCHEMBL9108 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180244699-A1 | 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-08-30 | — | — | US | disclosed |
| US-20170000133-A1 | BENZOXABOROLE FUNGICIDES | SYNGENTA PARTICIPATIONS AG (SE) | 2017-01-05 | — | — | US | disclosed |
| EP-3086645-A1 | BENZOXABOROLE FUNGICIDES | Syngenta Participations AG (CH) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015097276-A1 | BENZOXABOROLE FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-07-02 | — | — | WO | disclosed |
| US-20090239839-A1 | RECEPTOR ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-24 | — | — | US | disclosed |
| US-20070129348-A1 | Receptor antagonist | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-07 | — | — | US | disclosed |
| EP-1623710-A1 | RECEPTOR ANTAGONIST | Takeda Pharmaceutical Company Limited (JP) | 2006-02-08 | — | — | EP | disclosed |
| EP-0387947-A2 | Thermoplastic elastomeric block polymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-09-19 | — | — | EP | disclosed |