⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6511731 | 0.84 | RAB9A (0.43) | — | |
| SCHEMBL6505295 | 0.81 | PPARA (0.43) | — | |
| SCHEMBL11932137 | 0.79 | — | — | |
| SCHEMBL1128893 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL9285410 | 0.73 | — | — | |
| SCHEMBL1128871 | 0.71 | — | — | |
| SCHEMBL805042 | 0.69 | — | — | |
| SCHEMBL14235588 | 0.68 | — | — | |
| SCHEMBL1979609 | 0.67 | — | — | |
| SCHEMBL8299663 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005037803-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-04-28 | — | — | WO | disclosed |