⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4673772 | 0.64 | RAB9A (0.37) | — | |
| SCHEMBL4671346 | 0.56 | HSD11B1 (0.42) | — | |
| SCHEMBL15998487 | 0.52 | NCF1 (0.48) | — | |
| SCHEMBL4936198 | 0.52 | LMNA (0.39) | — | |
| SCHEMBL12628660 | 0.51 | PDE10A (0.45) | — | |
| SCHEMBL10079213 | 0.51 | NPC1 (0.59) | — | |
| SCHEMBL29638020 | 0.51 | NPC1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL5610821 | 0.51 | CYP1A2 (0.46) | — | |
| SCHEMBL24716272 | 0.50 | NCF1 (0.48) | — | |
| SCHEMBL24349368 | 0.50 | KMT2A (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7230010-B2 | 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same | CJ CORP. (KR) | 2007-06-12 | — | — | US | disclosed |
| US-20040106612-A1 | 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same | CJ CHEILJEDANG CORPORATION (KR) | 2004-06-03 | — | — | US | disclosed |