⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17793299 | 1.00 | — | — | |
| SCHEMBL3363040 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4328695 | 0.96 | — | — | |
| SCHEMBL80953 | 0.76 | — | — | |
| SCHEMBL1633399 | 0.76 | — | — | |
| SCHEMBL142963 | 0.74 | — | — | |
| SCHEMBL23422184 | 0.73 | — | — | |
| SCHEMBL275234 | 0.73 | — | — | |
| SCHEMBL4421528 | 0.73 | — | — | |
| SCHEMBL3193648 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014197763-A1 | MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) | 2014-12-11 | — | — | WO | disclosed |
| US-20090247519-A1 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-10-01 | — | — | US | disclosed |