⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14111810 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL11048353 | 0.59 | — | — | |
| SCHEMBL13233503 | 0.58 | — | — | |
| SCHEMBL6036786 | 0.57 | — | — | |
| SCHEMBL1688237 | 0.56 | — | — | |
| SCHEMBL8335694 | 0.56 | — | — | |
| SCHEMBL14612064 | 0.55 | — | — | |
| SCHEMBL11098861 | 0.53 | — | — | |
| SCHEMBL19304375 | 0.53 | TSHR (0.39) | — | |
| SCHEMBL6322598 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8987474-B2 | Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs | UNIVERSITY OF SOUTH FLORIDA (US) | 2015-03-24 | — | — | US | disclosed |
| US-20080176309-A1 | 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer | UNIVERSITY OF SOUTH FLORIDA (US) | 2008-07-24 | — | — | US | disclosed |