⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20292375 | 0.80 | — | — | |
| SCHEMBL5362762 | 0.77 | — | — | |
| SCHEMBL25399030 | 0.77 | — | — | |
| SCHEMBL6884828 | 0.75 | — | — | |
| SCHEMBL9680710 | 0.74 | — | — | |
| SCHEMBL28695419 | 0.74 | — | — | |
| SCHEMBL16797658 | 0.74 | — | — | |
| SCHEMBL9187292 | 0.74 | — | — | |
| SCHEMBL21179396 | 0.74 | — | — | |
| SCHEMBL9818515 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939916-B | Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method | 河南中烟工业有限责任公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-113024499-A | Green synthesis method of coumarin-3-carboxylic acid compounds | 河南中烟工业有限责任公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-112939916-A | Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method | 河南中烟工业有限责任公司 | 2021-06-11 | — | — | CN | disclosed |
| WO-2019174533-A1 | SMALL MOLECULE PD-1/PD-L1 INHIBITOR AND USE THEREOF IN DRUGS | 广东东阳光药业有限公司 | 2019-09-19 | — | — | WO | disclosed |
| CN-103930407-B | Aminopyrimidine derivatives useful as modulators of kinase activity | 默克专利有限公司 | 2019-02-26 | — | — | CN | disclosed |
| WO-2004110351-A2 | HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS | ANADYS PHARMACEUTICALS, INC. (US) | 2004-12-23 | — | — | WO | disclosed |