⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9248543 | 0.79 | ELANE (0.35) | — | |
| SCHEMBL8405099 | 0.72 | GSR (0.44) | — | |
| SCHEMBL14984000 | 0.72 | GSR (0.44) | — | |
| SCHEMBL1739510 | 0.72 | GSR (0.44) | — | |
| Phosphonic Acid SCHEMBL9540518 | 0.71 | — | — | |
| SCHEMBL9360442 | 0.71 | — | — | |
| SCHEMBL8386864 | 0.70 | CYP11B1 (0.31) | — | |
| SCHEMBL8389497 | 0.70 | — | — | |
| SCHEMBL9540514 | 0.70 | S1PR2 (0.33) | — | |
| SCHEMBL23532046 | 0.69 | CYP11B1 (0.34) | — |
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-1992019629-A1 | TRIAZOLE COMPOUNDS | JAPAT LTD. (CH) | 1992-11-12 | — | — | WO | disclosed |