⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11154756 | 0.82 | CA1 (0.48) | — | |
| SCHEMBL3467293 | 0.80 | KMT2A (0.50) | — | |
| SCHEMBL28708985 | 0.78 | — | — | |
| SCHEMBL10760687 | 0.76 | KMT2A (0.46) | — | |
| SCHEMBL8522333 | 0.76 | KMT2A (0.46) | — | |
| SCHEMBL8776291 | 0.76 | KMT2A (0.46) | — | |
| SCHEMBL13214285 | 0.73 | — | — | |
| SCHEMBL14537424 | 0.73 | CA1 (0.40) | — | |
| SCHEMBL7086241 | 0.70 | — | — | |
| SCHEMBL535670 | 0.67 | CA1 (0.55) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014198478-A2 | BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING | Johannes Gutenberg-Universität Mainz (DE) | 2014-12-18 | — | — | WO | disclosed |
| US-8163938-B2 | Aminocyclohexyl ether compounds and uses thereof | CARDIOME PHARMA CORP. (CA) | 2012-04-24 | — | — | US | disclosed |
| EP-1342715-B1 | Process for producing oximes using nitirites | DAICEL CHEM (JP) | 2006-09-13 | — | — | EP | disclosed |
| US-6768023-B2 | REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-07-27 | — | — | US | disclosed |
| US-20030171618-A1 | Process for producing organic compounds using nitrites | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-11 | — | — | US | disclosed |
| EP-1342715-A2 | Process for producing oximes using nitirites | Daicel Chemical Industries, Ltd. (JP) | 2003-09-10 | — | — | EP | disclosed |