⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22795792 | 0.76 | — | — | |
| SCHEMBL16245733 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL16245817 | 0.72 | RECQL (0.33) | — | |
| SCHEMBL1030891 | 0.72 | — | — | |
| SCHEMBL20320576 | 0.70 | HTT (0.35) | — | |
| SCHEMBL2334751 | 0.68 | — | — | |
| SCHEMBL5156756 | 0.67 | — | — | |
| SCHEMBL22140156 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL580730 | 0.64 | — | — | |
| SCHEMBL17254246 | 0.64 | ALDH1A1 (0.54) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9936701-B2 | Herbicidal compounds | SYNGENTA LIMITED (GB) | 2018-04-10 | — | — | US | disclosed |
| US-20170318810-A1 | Herbicidal Compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2017-11-09 | — | — | US | disclosed |
| US-20170121319-A1 | Herbicidal Compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2017-05-04 | — | — | US | disclosed |
| US-20160066574-A1 | Herbicidal Compounds | SYNGENTA LIMITED (GB) | 2016-03-10 | — | — | US | disclosed |
| US-7977342-B2 | HCV inhibiting bi-cyclic pyrimidines | TIBOTEC-VIRCO VIROLOGY BVBA (BE) | 2011-07-12 | — | — | US | disclosed |
| EP-1608631-A4 | BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA | SCIOS INC (US) | 2008-08-20 | — | — | EP | disclosed |
| US-20070155716-A1 | HCV INHIBITING BI-CYCLIC PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-07-05 | — | — | US | disclosed |
| EP-1799218-A1 | HCV INHIBITING BI-CYCLIC PYRIMIDINES | Tibotec Pharmaceuticals Ltd. (IE) | 2007-06-27 | — | — | EP | disclosed |
| US-7223766-B2 | Bi-cyclic pyrimidine inhibitors of TGFβ | SCIOS, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| WO-2006035061-A1 | HCV INHIBITING BI-CYCLIC PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2006-04-06 | — | — | WO | disclosed |
| EP-1608631-A2 | BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA | SCIOS INC. (US) | 2005-12-28 | — | — | EP | disclosed |
| US-20050004143-A1 | Bi-cyclic pyrimidine inhibitors of TGFbeta | SCIOS, INC. | 2005-01-06 | — | — | US | disclosed |
| WO-2004087056-A2 | BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ | SCIOS INC. (US) | 2004-10-14 | — | — | WO | disclosed |