⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12071964 | 1.00 | — | — | |
| SCHEMBL28786045 | 0.81 | — | — | |
| SCHEMBL5385934 | 0.80 | — | — | |
| SCHEMBL8616964 | 0.80 | — | — | |
| SCHEMBL8943297 | 0.77 | — | — | |
| SCHEMBL8943300 | 0.77 | — | — | |
| SCHEMBL12073563 | 0.74 | — | — | |
| SCHEMBL11038502 | 0.74 | — | — | |
| SCHEMBL12057070 | 0.73 | — | — | |
| SCHEMBL12057083 | 0.73 | — | — |
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-8084395-B2 | 4-aza indole derivatives and their use as fungicides | SYNGENTA CROP PROTECTION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100184598-A1 | 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-07-22 | — | — | US | disclosed |