⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11762637 | 0.80 | GABRP (0.33) | — | |
| Hydrochloric Acid SCHEMBL30503645 | 0.79 | GRIK1 (0.32) | — | |
| SCHEMBL21086918 | 0.76 | — | — | |
| SCHEMBL20342395 | 0.76 | — | — | |
| SCHEMBL18717280 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL4352419 | 0.75 | GRIK1 (0.40) | — | |
| SCHEMBL13716554 | 0.75 | — | — | |
| SCHEMBL24570412 | 0.74 | — | — | |
| SCHEMBL28769375 | 0.74 | — | — | |
| SCHEMBL22936043 | 0.72 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008076883-A2 | TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS | ABRAXIS BIOSCIENCE, INC. (US) | 2008-06-26 | — | — | WO | disclosed |