⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18286133 | 0.83 | — | — | |
| SCHEMBL104702 | 0.83 | — | — | |
| SCHEMBL14344134 | 0.83 | — | — | |
| SCHEMBL7569651 | 0.77 | — | — | |
| SCHEMBL808481 | 0.77 | GRM6 (0.30) | — | |
| SCHEMBL39621 | 0.77 | — | — | |
| SCHEMBL1539076 | 0.76 | — | — | |
| SCHEMBL4991850 | 0.76 | — | — | |
| SCHEMBL8818307 | 0.76 | — | — | |
| SCHEMBL6935722 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119301224-A | 2-Methylbenzoic acid ethyl ester as perfume | 西姆莱斯股份公司 | 2025-01-10 | — | — | CN | claimed |
| CN-119301224-A | 2-Methylbenzoic acid ethyl ester as perfume | 西姆莱斯股份公司 | 2025-01-10 | — | — | CN | disclosed |
| CN-116139138-A | Heterocyclic modulators of lipid synthesis | 3-V生物科学股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| WO-2000002903-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 2000-01-20 | — | — | WO | disclosed |
| US-5430023-A | Tripeptide antithrombotic agents | ELI LILLY AND COMPANY (US) | 1995-07-04 | — | — | US | disclosed |