⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3730270 | 0.93 | — | — | |
| SCHEMBL3727970 | 0.93 | EGLN1 (0.32) | — | |
| SCHEMBL3738607 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL3732283 | 0.93 | — | — | |
| SCHEMBL3739012 | 0.92 | PARP1 (0.32) | — | |
| SCHEMBL3726300 | 0.91 | PARP1 (0.31) | — | |
| SCHEMBL3732267 | 0.91 | — | — | |
| SCHEMBL3730567 | 0.91 | — | — | |
| SCHEMBL3738985 | 0.91 | — | — | |
| SCHEMBL14859698 | 0.90 | — | — |
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 5 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 |