⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5750999 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL3615893 | 0.73 | — | — | |
| SCHEMBL1926575 | 0.72 | — | — | |
| SCHEMBL11575923 | 0.72 | — | — | |
| Ether SCHEMBL11786427 | 0.70 | TDP1 (0.61) | — | |
| SCHEMBL293468 | 0.67 | — | — | |
| SCHEMBL28198754 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL164428 | 0.67 | — | — | |
| Ether SCHEMBL1948160 | 0.67 | — | — | |
| Ether SCHEMBL10672720 | 0.67 | CA1 (0.43) | — |
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-20100113513-A1 | QUINOLINE DERIVATIVES AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-05-06 | — | — | US | claimed |
| US-20100056570-A1 | FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-03-04 | — | — | US | claimed |
| EP-2139324-A1 | QUINOLINE DERIVATIVES AS FUNGICIDES | Syngeta Participations AG (CH) | 2010-01-06 | — | — | EP | claimed |
| EP-2068632-A1 | FUNGICIDES | Syngeta Participations AG (CH) | 2009-06-17 | — | — | EP | claimed |
| WO-2008110355-A1 | QUINOLINE DERIVATIVES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | claimed |
| WO-2008028624-A1 | FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-03-13 | — | — | WO | claimed |
| US-20100056570-A1 | FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-03-04 | — | — | US | disclosed |
| EP-2068632-A1 | FUNGICIDES | Syngeta Participations AG (CH) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008028624-A1 | FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-03-13 | — | — | WO | disclosed |