⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17546438 | 0.76 | — | — | |
| SCHEMBL19416373 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL20991933 | 0.72 | — | — | |
| SCHEMBL7939462 | 0.72 | — | — | |
| SCHEMBL18523996 | 0.72 | — | — | |
| SCHEMBL14756037 | 0.70 | — | — | |
| SCHEMBL34935 | 0.70 | — | — | |
| SCHEMBL10600100 | 0.70 | — | — | |
| SCHEMBL21704392 | 0.69 | — | — | |
| SCHEMBL8054697 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021116446-A1 | FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) | Ryvu Therapeutics S.A. (PL) | 2021-06-17 | — | — | WO | disclosed |
| WO-2020249064-A1 | COMPOUNDS FOR MODULATING FXR | NANJING RUIJIE PHARMA CO., LTD. (CN) | 2020-12-17 | — | — | WO | disclosed |
| WO-2019183358-A2 | WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |