⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11233463 | 0.79 | — | — | |
| SCHEMBL7298396 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL17075254 | 0.67 | — | — | |
| SCHEMBL6054997 | 0.67 | — | — | |
| SCHEMBL28486046 | 0.65 | — | — | |
| SCHEMBL3057940 | 0.65 | — | — | |
| SCHEMBL1581126 | 0.62 | — | — | |
| SCHEMBL53004 | 0.62 | LMNA (0.36) | — | |
| SCHEMBL3068333 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL11021784 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4150122-A | INSECTICIDES, NEMATOCIDES, ALKYL 2-DISUBSTITUTED-AMINO-N-((N-(TRISUBSTITUTED-SILANYL)AMINO)CARBONYLOXY)-2-OXO-ETHANIMIDOTHIOATE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-04-17 | — | — | US | disclosed |