⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22412685 | 0.78 | — | — | |
| SCHEMBL479547 | 0.77 | — | — | |
| SCHEMBL1776098 | 0.77 | — | — | |
| SCHEMBL3506514 | 0.77 | — | — | |
| SCHEMBL24653562 | 0.74 | — | — | |
| SCHEMBL6476566 | 0.74 | — | — | |
| SCHEMBL5366453 | 0.74 | — | — | |
| SCHEMBL11440328 | 0.74 | — | — | |
| SCHEMBL15467989 | 0.74 | — | — | |
| SCHEMBL27662824 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |
| CN-114177744-B | Trapezoidal polymer with micropores for gas separation, membrane and application | 中国气象科学研究院 | 2022-04-15 | — | — | CN | disclosed |
| CN-101229164-B | Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives | BRISTOL MYERS SQUIBB CO | 2013-01-02 | — | — | CN | disclosed |
| CN-101229164-A | Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives | BRISTOL MYERS SQUIBB CO (US) | 2008-07-30 | — | — | CN | disclosed |
| CN-100379421-C | Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives | BRISTOL MYERS SQUIBB CO (US) | 2008-04-09 | — | — | CN | disclosed |
| CN-1688311-A | Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives | BRISTOL MYERS SQUIBB CO (US) | 2005-10-26 | — | — | CN | disclosed |
| WO-2000054586-A1 | INSECTICIDE FORMULATION | AVENTIS ENVIRONMENTAL SCIENCE USA LP (US) | 2000-09-21 | — | — | WO | disclosed |