⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3286678 | 0.93 | CTSK (0.35) | — | |
| SCHEMBL3288166 | 0.91 | TNF (0.38) | — | |
| SCHEMBL3284453 | 0.91 | TNF (0.38) | — | |
| SCHEMBL3844316 | 0.88 | LMNA (0.33) | — | |
| SCHEMBL3286582 | 0.87 | CTSK (0.37) | — | |
| SCHEMBL3844466 | 0.86 | — | — | |
| SCHEMBL3288381 | 0.84 | SCD (0.31) | — | |
| SCHEMBL3291203 | 0.83 | DPP4 (0.33) | — | |
| SCHEMBL3290916 | 0.79 | PDE4A (0.41) | — | |
| SCHEMBL3285813 | 0.75 | ADORA2B (0.43) | — |
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-7713971-B2 | 1,2,4-triazine derivatives, preparation and use thereof in human therapy | PIERRE FABRE MEDICAMENT (FR) | 2010-05-11 | — | — | US | disclosed |
| EP-1856065-B1 | 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY | PF MEDICAMENT (FR) | 2009-11-11 | — | — | EP | disclosed |
| US-20080167313-A1 | 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy | PIERRE FABRE MEDICAMENT (FR) | 2008-07-10 | — | — | US | disclosed |