⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10652010 | 0.76 | ITGB1 (0.31) | — | |
| SCHEMBL20450497 | 0.73 | ITGB1 (0.34) | — | |
| SCHEMBL3533041 | 0.73 | ITGB1 (0.34) | — | |
| SCHEMBL20450494 | 0.73 | ITGB1 (0.34) | — | |
| SCHEMBL29740025 | 0.71 | EPHX1 (0.32) | — | |
| SCHEMBL8673125 | 0.71 | GLI1 (0.36) | — | |
| SCHEMBL8773168 | 0.71 | ITGB1 (0.36) | — | |
| SCHEMBL13414987 | 0.69 | — | — | |
| SCHEMBL14109637 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL19550447 | 0.67 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4785108-A | INTERMEDIATES FOR INSECTICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1988-11-15 | — | — | US | disclosed |
| US-4640927-A | PESTICIDES, NEMATOCIDES, MITICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1987-02-03 | — | — | US | disclosed |
| EP-0158496-A2 | Substituted oxime carbamates | UNIROYAL, INC. (US) | 1985-10-16 | — | — | EP | disclosed |