⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937318 | 0.77 | — | — | |
| SCHEMBL21582231 | 0.72 | EPHX1 (0.42) | — | |
| SCHEMBL14321148 | 0.70 | — | — | |
| SCHEMBL15137935 | 0.69 | — | — | |
| SCHEMBL4582704 | 0.69 | — | — | |
| SCHEMBL909268 | 0.69 | — | — | |
| SCHEMBL414007 | 0.69 | — | — | |
| SCHEMBL712506 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL2140236 | 0.67 | — | — | |
| SCHEMBL14553992 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104302290-B | Hepatitis c virus inhibitors | 百时美施贵宝公司 | 2017-10-24 | — | — | CN | disclosed |
| US-8193221-B2 | Insecticidal compounds | SYNGENTA CROP PROTECTION LLC (US) | 2012-06-05 | — | — | US | disclosed |
| WO-2012049327-A2 | PESTICIDAL MIXTURES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-04-19 | — | — | WO | disclosed |
| US-20100222392-A1 | INSECTICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-09-02 | — | — | US | disclosed |
| EP-2205574-A1 | INSECTICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| EP-1979354-B1 | DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2009049846-A1 | INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2009-04-23 | — | — | WO | disclosed |