⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2868242 | 0.88 | — | — | |
| SCHEMBL2872249 | 0.86 | — | — | |
| SCHEMBL1927591 | 0.85 | POLB (0.31) | — | |
| SCHEMBL3112128 | 0.85 | HTT (0.33) | — | |
| SCHEMBL3106136 | 0.84 | — | — | |
| SCHEMBL3111891 | 0.83 | — | — | |
| SCHEMBL3103244 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL14762938 | 0.81 | ANO1 (0.31) | — | |
| SCHEMBL13077738 | 0.81 | ANO1 (0.31) | — | |
| SCHEMBL3108669 | 0.81 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415272-B2 | Quinoline derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-09 | — | — | US | disclosed |
| US-8415272-B2 | Quinoline derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-09 | — | — | US | disclosed |
| US-8415272-B2 | Quinoline derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-09 | — | — | US | disclosed |
| US-20100280068-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100280068-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100280068-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| EP-2231614-A2 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | Syngenta Participations AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009087098-A2 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-07-16 | — | — | WO | disclosed |
| WO-2009087098-A2 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-07-16 | — | — | WO | disclosed |