⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3094459 | 0.74 | — | — | |
| SCHEMBL27206 | 0.73 | — | — | |
| SCHEMBL8586607 | 0.73 | — | — | |
| SCHEMBL9647720 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL9647725 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL7609745 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL117200 | 0.71 | KDM1A (0.31) | — | |
| SCHEMBL3206634 | 0.71 | KDM1A (0.31) | — | |
| SCHEMBL10709752 | 0.71 | — | — | |
| SCHEMBL117201 | 0.71 | KDM1A (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106133921-B | Transparent energy collection device | 密歇根州立大学董事会 | 2018-04-13 | — | — | CN | claimed |
| EP-1107672-A1 | OXYGEN SCAVENGING PACKAGING | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2001-06-20 | — | — | EP | claimed |
| WO-2000011972-A1 | OXYGEN SCAVENGING PACKAGING | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2000-03-09 | — | — | WO | claimed |
| CN-106456573-B | Functionalized 1, 3-benzenediols for treating hepatic encephalopathy and methods of use thereof | 康纳生物技术有限公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-106456573-A | Novel functionalized 1, 3-benzenediols for treating hepatic encephalopathy and methods of use thereof | 康纳生物技术有限公司 | 2017-02-22 | — | — | CN | disclosed |