⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27839789 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL18763355 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL27455256 | 0.77 | — | — | |
| SCHEMBL8334187 | 0.75 | — | — | |
| SCHEMBL1563009 | 0.75 | — | — | |
| SCHEMBL15120677 | 0.74 | CA2 (0.33) | — | |
| SCHEMBL874509 | 0.74 | CA12 (0.41) | — | |
| SCHEMBL179862 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL18668900 | 0.74 | TSHR (0.52) | — | |
| SCHEMBL10811153 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103190441-A | Moisture resistance regulating agent of rape and application of regulating agent | UNIV SOUTHWEST | 2013-07-10 | — | — | CN | claimed |
| CN-107011350-A | Antiviral compound | 吉利德科学公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-103857681-B | It is used as the new big ring of factor XI, plasma thromboplastin antecedent A inhibitor | 百时美施贵宝公司 | 2017-07-14 | — | — | CN | disclosed |
| CN-104918943-B | Antiviral compounds | 吉利德科学公司 | 2017-04-05 | — | — | CN | disclosed |
| EP-3080104-A1 | 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015088817-A1 | 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-18 | — | — | WO | disclosed |
| EP-2673271-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-12-18 | — | — | EP | disclosed |
| CN-103190441-A | Moisture resistance regulating agent of rape and application of regulating agent | UNIV SOUTHWEST | 2013-07-10 | — | — | CN | disclosed |
| WO-2012109080-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-16 | — | — | WO | disclosed |
| US-20110294776-A1 | Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases | BAYER HEALTHCARE AG (DE) | 2011-12-01 | — | — | US | disclosed |