⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20628700 | 0.84 | — | — | |
| SCHEMBL12345407 | 0.80 | — | — | |
| SCHEMBL22642160 | 0.74 | NOS3 (0.37) | — | |
| SCHEMBL24269374 | 0.72 | — | — | |
| SCHEMBL14197001 | 0.70 | — | — | |
| SCHEMBL12840930 | 0.70 | — | — | |
| SCHEMBL16769255 | 0.70 | — | — | |
| SCHEMBL23745484 | 0.65 | — | — | |
| SCHEMBL24002169 | 0.65 | — | — | |
| SCHEMBL8271621 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013118855-A1 | HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE | 塩野義製薬株式会社 (JP) | 2013-08-15 | — | — | WO | disclosed |
| WO-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |
| WO-2012020749-A1 | TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |