⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19264354 | 0.78 | — | — | |
| SCHEMBL20614749 | 0.70 | NEK2 (0.31) | — | |
| SCHEMBL10923850 | 0.69 | — | — | |
| SCHEMBL30018631 | 0.67 | — | — | |
| SCHEMBL576859 | 0.67 | — | — | |
| SCHEMBL24501629 | 0.64 | — | — | |
| SCHEMBL17374728 | 0.62 | — | — | |
| SCHEMBL4253377 | 0.62 | — | — | |
| SCHEMBL6876248 | 0.62 | LMNA (0.33) | — | |
| SCHEMBL18462032 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9293711-B2 | Organic semiconductor formulations | POLYERA CORPORATION (US) | 2016-03-22 | — | — | US | disclosed |
| US-9247740-B2 | Isoxazoline derivatives as insecticidal compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2016-02-02 | — | — | US | disclosed |
| US-20140206606-A1 | ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-07-24 | — | — | US | disclosed |
| US-20140042369-A1 | Organic Semiconductor Formulations | USINVEST LLC | 2014-02-13 | — | — | US | disclosed |