⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28297162 | 0.87 | — | — | |
| SCHEMBL7129634 | 0.81 | — | — | |
| SCHEMBL28291510 | 0.77 | — | — | |
| SCHEMBL27782895 | 0.77 | — | — | |
| SCHEMBL2683423 | 0.77 | — | — | |
| SCHEMBL9050152 | 0.77 | — | — | |
| SCHEMBL27837116 | 0.76 | — | — | |
| SCHEMBL8428841 | 0.74 | EPHX1 (0.45) | — | |
| SCHEMBL5634684 | 0.73 | — | — | |
| SCHEMBL9253701 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11302341-A | — | — | None | — | — | JP | disclosed |
| WO-2023123655-A1 | PREPARATION METHOD FOR 3-SUBSTITUTED-9-METHYL-THIENO-TRIAZOLOOXAZINE COMPOUND | 上海皓元生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |
| JP-H11302341-A | POLYMER AND SCALE INHIBITION CONTAINING THE SAME | NIPPON SHOKUBAI CO LTD | 1999-11-02 | — | — | JP | disclosed |