⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14218704 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL19750123 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL11435054 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL327725 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL61193 | 1.00 | — | — | |
| SCHEMBL2107485 | 1.00 | — | — | |
| SCHEMBL24793465 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL944 | 1.00 | — | — | |
| SCHEMBL5990231 | 1.00 | KMT2A (0.52) | — | |
| SCHEMBL12402455 | 1.00 | KMT2A (0.52) | — |
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 |