⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1838907 | 0.82 | — | — | |
| SCHEMBL5215296 | 0.80 | — | — | |
| SCHEMBL21177286 | 0.77 | NOTUM (0.42) | — | |
| Hydrochloric Acid SCHEMBL29156127 | 0.76 | FAAH (0.49) | — | |
| SCHEMBL758594 | 0.76 | — | — | |
| SCHEMBL15123017 | 0.76 | — | — | |
| SCHEMBL23320163 | 0.75 | PARP1 (0.40) | — | |
| SCHEMBL21177772 | 0.75 | FAAH (0.39) | — | |
| SCHEMBL20970380 | 0.75 | CPB2 (0.36) | — | |
| SCHEMBL19303879 | 0.75 | FBP1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105175409-A | Triazine Derivatives and their Therapeutical Applications | CALIFORNIA CAPITAL EQUITY LLC | 2015-12-23 | — | — | CN | disclosed |
| CN-102573485-B | triazine derivatives and their therapeutic use | ABRAXIS BIOSCIENCE LLC | 2014-11-26 | — | — | CN | disclosed |
| US-20120238576-A1 | Triazine Derivatives and their Therapeutical Applications | CALIFORNIA CAPITAL EQUITY, LLC (CA) | 2012-09-20 | — | — | US | disclosed |
| EP-2440050-A1 | TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS | Abraxis BioScience, LLC (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144338-A1 | TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS | ABRAXIS BIOSCIENCE, LLC (US) | 2010-12-16 | — | — | WO | disclosed |