⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29017354 | 1.00 | — | — | |
| SCHEMBL11348839 | 0.93 | — | — | |
| SCHEMBL7639696 | 0.82 | — | — | |
| SCHEMBL9883697 | 0.80 | — | — | |
| SCHEMBL15809090 | 0.80 | — | — | |
| SCHEMBL17403818 | 0.80 | — | — | |
| SCHEMBL17403819 | 0.80 | — | — | |
| SCHEMBL8301312 | 0.79 | CYP1A2 (0.30) | — | |
| SCHEMBL8208313 | 0.78 | — | — | |
| SCHEMBL14749887 | 0.78 | EPHX1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116240194-B | Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof | 中国科学院天津工业生物技术研究所 | 2024-11-12 | — | — | CN | claimed |
| CN-116240194-B | Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof | 中国科学院天津工业生物技术研究所 | 2024-11-12 | — | — | CN | disclosed |
| CN-116240194-A | Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof | 中国科学院天津工业生物技术研究所 | 2023-06-09 | — | — | CN | disclosed |