⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6530571 | 0.86 | CCNT1 (0.32) | — | |
| SCHEMBL6532581 | 0.77 | GRM5 (0.38) | — | |
| SCHEMBL6532170 | 0.71 | BTK (0.33) | — | |
| SCHEMBL6530570 | 0.70 | GRM1 (0.34) | — | |
| SCHEMBL6532166 | 0.70 | GRM1 (0.32) | — | |
| SCHEMBL6528494 | 0.69 | NAMPT (0.32) | — | |
| SCHEMBL5833336 | 0.68 | CALML3 (0.40) | — | |
| SCHEMBL6529333 | 0.67 | TRPV1 (0.33) | — | |
| SCHEMBL6529201 | 0.67 | TRPV1 (0.34) | — | |
| SCHEMBL5833988 | 0.67 | MAOA (0.35) | — |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |