⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11622227 | 0.80 | GOT1 (0.38) | — | |
| SCHEMBL27514959 | 0.77 | EGFR (0.39) | — | |
| SCHEMBL8372607 | 0.73 | NPSR1 (0.44) | — | |
| SCHEMBL3361750 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL7574366 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL7574351 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1718427 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL6832262 | 0.68 | NPSR1 (0.39) | — | |
| SCHEMBL11051350 | 0.68 | DHFR (0.46) | — | |
| SCHEMBL193916 | 0.68 | ALDH1A1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165526-A1 | METHOD FOR PREPARING SUBSTITUTED TRIAZINES | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000061567-A1 | METHOD FOR PREPARING SUBSTITUTED TRIAZINES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2000-10-19 | — | — | WO | disclosed |