⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27939012 | 0.81 | — | — | |
| SCHEMBL10456676 | 0.77 | — | — | |
| SCHEMBL1481503 | 0.67 | — | — | |
| SCHEMBL27629055 | 0.65 | — | — | |
| SCHEMBL29244092 | 0.64 | — | — | |
| SCHEMBL28163891 | 0.62 | — | — | |
| SCHEMBL3617785 | 0.56 | — | — | |
| SCHEMBL13911498 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL11163040 | 0.56 | — | — | |
| SCHEMBL28404488 | 0.54 | POLB (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-9464038-B2 | Method for producing specific oximes and oximethers | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-10-11 | — | — | US | disclosed |
| US-20160107986-A1 | IMPROVED METHOD FOR PRODUCING SPECIFIC OXIMES AND OXIMETHERS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-04-21 | — | — | US | disclosed |
| WO-2000075094-A2 | METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-12-14 | — | — | WO | disclosed |