⚠ 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 | |
|---|---|---|---|---|
| Methylbiphenyl Tetrazole SCHEMBL7082517 | 0.73 | — | — | |
| Methylbiphenyl Tetrazole SCHEMBL29457258 | 0.70 | NR1H2 (0.39) | — | |
| Methylbiphenyl Tetrazole SCHEMBL1774035 | 0.70 | NR1H2 (0.39) | — | |
| SCHEMBL184092 | 0.68 | DCUN1D1 (0.44) | — | |
| SCHEMBL8716424 | 0.68 | PTGS2 (0.45) | — | |
| SCHEMBL7078741 | 0.67 | PTGS2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28614073 | 0.67 | DCUN1D1 (0.43) | — | |
| SCHEMBL6893249 | 0.67 | DCUN1D1 (0.43) | — | |
| SCHEMBL2028396 | 0.65 | ADH5 (0.32) | — | |
| SCHEMBL2160591 | 0.64 | METAP2 (0.41) | — |
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-2003066565-A1 | DEUTERATED BIPHENYL DERIVATIVES | TURICUM DRUG DEVELOPMENT AG (CH) | 2003-08-14 | — | — | WO | claimed |