⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6936693 | 0.90 | — | — | |
| SCHEMBL14855613 | 0.84 | FFAR4 (0.36) | — | |
| Formic Acid Methyl Ester SCHEMBL28279589 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL6937278 | 0.73 | — | — | |
| SCHEMBL27173858 | 0.73 | SCN9A (0.32) | — | |
| SCHEMBL756557 | 0.73 | ARG1 (0.34) | — | |
| Formic Acid Methyl Ester SCHEMBL872709 | 0.73 | CYP1A2 (0.37) | — | |
| SCHEMBL20714533 | 0.73 | — | — | |
| SCHEMBL6940735 | 0.72 | SPHK2 (0.31) | — | |
| SCHEMBL24244322 | 0.72 | SCN9A (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109535155-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-103958508-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2019-02-12 | — | — | CN | disclosed |