⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4511338 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL1034321 | 0.71 | — | — | |
| SCHEMBL6839671 | 0.67 | — | — | |
| SCHEMBL19432260 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL9699417 | 0.65 | — | — | |
| SCHEMBL1704891 | 0.63 | — | — | |
| SCHEMBL22171051 | 0.63 | — | — | |
| SCHEMBL13953026 | 0.61 | — | — | |
| SCHEMBL6747041 | 0.61 | — | — | |
| SCHEMBL21214120 | 0.61 | — | — |
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-20160009733-A1 | REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT | UNIVERSITY OF WOLLONGONG (AU) | 2016-01-14 | — | — | US | disclosed |
| US-9156855-B2 | Regulation of nitric oxide release and biofilm development | Newsouth Innovation Pty Limited (AU) | 2015-10-13 | — | — | US | disclosed |
| US-20140221331-A1 | REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT | UNIVERSITY OF WOLLONGONG (AU) | 2014-08-07 | — | — | US | disclosed |