⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7650688 | 0.90 | AGTR1 (0.32) | — | |
| SCHEMBL7658315 | 0.90 | GSK3B (0.31) | — | |
| SCHEMBL7654107 | 0.88 | APLNR (0.32) | — | |
| SCHEMBL7661069 | 0.87 | — | — | |
| SCHEMBL7654385 | 0.86 | — | — | |
| SCHEMBL7657723 | 0.86 | APLNR (0.32) | — | |
| SCHEMBL7660683 | 0.83 | APLNR (0.31) | — | |
| SCHEMBL7656066 | 0.83 | BRS3 (0.33) | — | |
| SCHEMBL7927328 | 0.82 | DDX3X (0.32) | — | |
| SCHEMBL7652695 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6358984-B1 | FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES | LEAD CHEMICAL CO., LTD. (JP) | 2002-03-19 | — | — | US | disclosed |
| US-6232335-B1 | A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE | LEAD CHEMICAL CO., LTD. (JP) | 2001-05-15 | — | — | US | disclosed |