⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8118905 | 1.00 | — | — | |
| SCHEMBL8111111 | 0.88 | GRM5 (0.31) | — | |
| SCHEMBL8111116 | 0.88 | GRM5 (0.31) | — | |
| SCHEMBL8112802 | 0.86 | CNR1 (0.31) | — | |
| SCHEMBL8112800 | 0.86 | CNR1 (0.31) | — | |
| SCHEMBL8111399 | 0.81 | CNR1 (0.31) | — | |
| SCHEMBL8111394 | 0.81 | CNR1 (0.31) | — | |
| SCHEMBL8112837 | 0.78 | CNR1 (0.31) | — | |
| SCHEMBL8112840 | 0.78 | CNR1 (0.31) | — | |
| SCHEMBL8113082 | 0.72 | — | — |
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-0685477-B1 | Insecticidal tetrahydrofuran-compound | MITSUI CHEMICALS INC (JP) | 2000-10-18 | — | — | EP | disclosed |
| US-5614527-A | NITROGUANIDINE COMPOUND | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-03-25 | — | — | US | disclosed |
| EP-0685477-A1 | Insecticidal tetrahydrofuran-compound | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-12-06 | — | — | EP | disclosed |