⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034534 | 0.73 | — | — | |
| SCHEMBL14549079 | 0.70 | — | — | |
| SCHEMBL3645353 | 0.69 | — | — | |
| SCHEMBL11033048 | 0.67 | — | — | |
| SCHEMBL4031715 | 0.64 | FFAR3 (0.39) | — | |
| SCHEMBL2281301 | 0.64 | DPP4 (0.32) | — | |
| SCHEMBL121296 | 0.63 | — | — | |
| SCHEMBL2545646 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL16772861 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL11801826 | 0.62 | MEN1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011221-B1 | CARBAMOYL-OXIMES, THEIR PREPARATION, PESTICIDES CONTAINING THEM AND USE OF THESE COMPOUNDS AS PESTICIDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-16 | — | — | EP | disclosed |
| US-4255436-A | 2-Oxo-3 thiazoline-oximes as pesticides | HOFFMANN-LA ROCHE INC. (US) | 1981-03-10 | — | — | US | disclosed |