⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4158145 | 0.94 | KMT2A (0.38) | — | |
| SCHEMBL6511069 | 0.83 | PSEN1 (0.35) | — | |
| SCHEMBL6507955 | 0.80 | S1PR1 (0.40) | — | |
| SCHEMBL4153144 | 0.79 | CTSL (0.31) | — | |
| SCHEMBL6512644 | 0.79 | S1PR1 (0.46) | — | |
| SCHEMBL4660681 | 0.79 | HRH3 (0.34) | — | |
| SCHEMBL5943753 | 0.78 | — | — | |
| SCHEMBL873749 | 0.78 | — | — | |
| SCHEMBL1302924 | 0.78 | — | — | |
| SCHEMBL4158070 | 0.78 | — | — |
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 |