⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12532450 | 0.58 | — | — | |
| SCHEMBL14193444 | 0.50 | — | — | |
| SCHEMBL5898536 | 0.50 | — | — | |
| SCHEMBL17036075 | 0.50 | — | — | |
| SCHEMBL12908087 | 0.50 | — | — | |
| SCHEMBL1101615 | 0.50 | — | — | |
| SCHEMBL7727893 | 0.50 | — | — | |
| SCHEMBL149106 | 0.50 | — | — | |
| SCHEMBL449184 | 0.47 | — | — | |
| SCHEMBL312888 | 0.47 | — | — |
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-20160297761-A1 | NOVEL INHIBITORS OF GLUTAMINASE | RHIZEN PHARMACEUTICALS AG (CH) | 2016-10-13 | — | — | US | disclosed |
| US-20090137597-A1 | Novel quinoxalinone derivatives | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-5169613-A | Method for the preparation of boron nitride using ammonia-monohaloborane | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1992-12-08 | — | — | US | disclosed |