⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13604026 | 1.00 | — | — | |
| SCHEMBL257429 | 1.00 | — | — | |
| SCHEMBL3149039 | 0.65 | — | — | |
| SCHEMBL15016135 | 0.62 | — | — | |
| SCHEMBL13494677 | 0.62 | — | — | |
| SCHEMBL19441185 | 0.59 | — | — | |
| SCHEMBL10296442 | 0.59 | — | — | |
| SCHEMBL17461812 | 0.59 | — | — | |
| SCHEMBL10296429 | 0.59 | — | — | |
| SCHEMBL5822385 | 0.57 | — | — |
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-20230339943-A1 | ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES | Guangdong Raynovent Biotech Co., Ltd. (CN) | 2023-10-26 | — | — | US | disclosed |
| US-20170260176-A1 | GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS | MED-PATHWAYS II LIMITED (VG) | 2017-09-14 | — | — | US | disclosed |
| EP-1781661-B1 | VASOPRESSIN V1A ANTAGONISTS | VANTIA LTD (GB) | 2017-06-07 | — | — | EP | disclosed |
| WO-2015037747-A1 | ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT | NIHON NOHYAKU CO., LTD. (JP) | 2015-03-19 | — | — | WO | disclosed |