⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1767793 | 0.82 | — | — | |
| SCHEMBL15157859 | 0.53 | — | — | |
| SCHEMBL20797755 | 0.53 | — | — | |
| SCHEMBL21947377 | 0.48 | — | — | |
| SCHEMBL10414868 | 0.45 | NQO1 (0.50) | — | |
| SCHEMBL25853 | 0.45 | — | — | |
| SCHEMBL9579151 | 0.45 | CASP1 (0.50) | — | |
| SCHEMBL2362493 | 0.45 | KDM4E (0.41) | — | |
| SCHEMBL1246293 | 0.42 | MEN1 (0.30) | — | |
| Hydrazine SCHEMBL6034868 | 0.36 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103458687-B | Pesticidal compositions and processes related thereto | DOW AGROSCIENCES LLC | 2015-06-03 | — | — | CN | disclosed |
| CN-103458687-A | Pesticidal compositions and processes related thereto | DOW AGROSCIENCES LLC | 2013-12-18 | — | — | CN | disclosed |
| WO-2011056630-A2 | SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS | TRUSTEES OF BOSTON UNIVERSITY (US) | 2011-05-12 | — | — | WO | disclosed |