⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1849836 | 0.67 | POLB (0.44) | — | |
| SCHEMBL6176 | 0.65 | — | — | |
| SCHEMBL6112613 | 0.65 | — | — | |
| SCHEMBL710696 | 0.65 | MAPT (0.37) | — | |
| SCHEMBL101638 | 0.65 | — | — | |
| SCHEMBL24573762 | 0.63 | HSD17B1 (0.42) | — | |
| SCHEMBL13411813 | 0.63 | ADH5 (0.36) | — | |
| SCHEMBL6260959 | 0.63 | — | — | |
| SCHEMBL22206279 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL238233 | 0.63 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | claimed |
| US-20110178064-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA R&D (SE) | 2011-07-21 | — | — | US | claimed |
| EP-2178876-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | AstraZeneca AB (SE) | 2010-04-28 | — | — | EP | claimed |
| US-7645799-B2 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-12 | — | — | US | claimed |
| US-20090062287-A1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-03-05 | — | — | US | claimed |
| WO-2009010801-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA UK LIMITED (GB) | 2009-01-22 | — | — | WO | claimed |
| US-20060154915-A1 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | claimed |
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | disclosed |
| US-20110178064-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA R&D (SE) | 2011-07-21 | — | — | US | disclosed |
| EP-2178876-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | AstraZeneca AB (SE) | 2010-04-28 | — | — | EP | disclosed |
| US-7645799-B2 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-12 | — | — | US | disclosed |
| US-20090062287-A1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-03-05 | — | — | US | disclosed |
| WO-2009010801-A1 | SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL | ASTRAZENECA UK LIMITED (GB) | 2009-01-22 | — | — | WO | disclosed |
| US-7459564-B2 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-02 | — | — | US | disclosed |
| EP-1841504-A2 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006076575-A2 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-20 | — | — | WO | disclosed |
| US-20060154915-A1 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | disclosed |