⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9632247 | 0.74 | — | — | |
| SCHEMBL8921548 | 0.72 | — | — | |
| SCHEMBL129819 | 0.71 | — | — | |
| SCHEMBL13922436 | 0.69 | — | — | |
| SCHEMBL28133613 | 0.69 | — | — | |
| SCHEMBL5517943 | 0.69 | — | — | |
| SCHEMBL5925175 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL387713 | 0.67 | — | — | |
| SCHEMBL7875848 | 0.67 | — | — | |
| SCHEMBL2333897 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016174049-A1 | ANTI-PARASITIC COMBINATIONS INCLUDING HALOGEN-SUBSTITUTED COMPOUNDS | BAYER ANIMAL HEALTH GMBH (DE) | 2016-11-03 | — | — | WO | claimed |
| US-20100056570-A1 | FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-03-04 | — | — | US | claimed |
| EP-2068632-A1 | FUNGICIDES | Syngeta Participations AG (CH) | 2009-06-17 | — | — | EP | claimed |
| WO-2008028624-A1 | FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-03-13 | — | — | WO | claimed |
| CN-109563085-A | piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-101668424-A | Quinoline derivatives as fungicides | SYNGENTA PARTICIPATIONS AG | 2010-03-10 | — | — | CN | disclosed |
| 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 |