⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8403788 | 0.93 | — | — | |
| SCHEMBL8462207 | 0.92 | — | — | |
| SCHEMBL8128911 | 0.90 | — | — | |
| SCHEMBL8301862 | 0.90 | — | — | |
| SCHEMBL8402408 | 0.87 | — | — | |
| SCHEMBL8120111 | 0.86 | — | — | |
| SCHEMBL8120490 | 0.86 | — | — | |
| SCHEMBL8403793 | 0.85 | — | — | |
| SCHEMBL8129021 | 0.84 | — | — | |
| SCHEMBL8128988 | 0.84 | BDKRB1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5863866-A | HERBICIDES TO KILL WEEDS BUT NOT CROPS | IDEMITSU KOSAN CO., LTD. (JP) | 1999-01-26 | — | — | US | disclosed |
| EP-0819691-A1 | PYRAZOLE DERIVATIVES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-01-21 | — | — | EP | disclosed |