⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8303401 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL8307251 | 0.77 | PDPK1 (0.30) | — | |
| SCHEMBL8307458 | 0.76 | HTT (0.32) | — | |
| SCHEMBL5905865 | 0.72 | MGLL (0.43) | — | |
| SCHEMBL8305449 | 0.71 | — | — | |
| SCHEMBL8977258 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL9730328 | 0.70 | HCAR1 (0.38) | — | |
| SCHEMBL8599860 | 0.70 | TLR8 (0.49) | — | |
| SCHEMBL8306679 | 0.70 | — | — | |
| SCHEMBL8977294 | 0.70 | P2RX7 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695748-B1 | Tetrazolinone herbicides | BAYER AGROCHEM KK (JP) | 1999-05-06 | — | — | EP | disclosed |
| US-5589439-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0695748-A1 | Tetrazolinone herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1996-02-07 | — | — | EP | disclosed |