⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8549159 | 1.00 | — | — | |
| SCHEMBL8545763 | 0.85 | MLYCD (0.31) | — | |
| SCHEMBL8545765 | 0.85 | MLYCD (0.31) | — | |
| SCHEMBL8550126 | 0.83 | THRB (0.32) | — | |
| SCHEMBL8550124 | 0.83 | THRB (0.32) | — | |
| SCHEMBL8547233 | 0.79 | — | — | |
| SCHEMBL8547229 | 0.79 | — | — | |
| SCHEMBL9050890 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9050883 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL8544399 | 0.72 | ALDH1A1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649845-B1 | Furanyl insecticide | MITSUI CHEMICALS INC (JP) | 1998-07-22 | — | — | EP | disclosed |
| US-5532365-A | NITROGUANIDINE COMPOUNDS AS INSECTICIDES | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-07-02 | — | — | US | disclosed |
| US-5434181-A | FOR USE IN AGRICULTURAL CHEMICALS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-07-18 | — | — | US | disclosed |
| EP-0649845-A1 | Furanyl insecticide | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-04-26 | — | — | EP | disclosed |