⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3951771 | 0.84 | — | — | |
| SCHEMBL981115 | 0.75 | — | — | |
| Lithium SCHEMBL31009395 | 0.73 | — | — | |
| SCHEMBL10804172 | 0.72 | — | — | |
| SCHEMBL1092664 | 0.70 | — | — | |
| SCHEMBL1400583 | 0.70 | — | — | |
| SCHEMBL981062 | 0.70 | — | — | |
| SCHEMBL2058295 | 0.70 | — | — | |
| SCHEMBL8943397 | 0.70 | — | — | |
| SCHEMBL5818763 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20090054432-A1 | 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors | PHARMACYLICS, INC. A DELAWARE CORPORATION (US) | 2009-02-26 | — | — | US | disclosed |
| US-7479502-B2 | 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors | PHARMACYCLICS, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-20060205942-A1 | e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke | PHARMACYCLICS LLC | 2006-09-14 | — | — | US | disclosed |