⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8422150 | 0.98 | — | — | |
| Propylamine SCHEMBL9248702 | 0.83 | ADRB2 (0.33) | — | |
| SCHEMBL6871658 | 0.74 | — | — | |
| SCHEMBL3535849 | 0.74 | — | — | |
| SCHEMBL9526145 | 0.74 | — | — | |
| SCHEMBL3422333 | 0.71 | SSTR4 (0.35) | — | |
| SCHEMBL5354815 | 0.70 | — | — | |
| SCHEMBL447942 | 0.70 | — | — | |
| SCHEMBL27636031 | 0.70 | — | — | |
| SCHEMBL951888 | 0.69 | SLC6A2 (0.34) | — |
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-116381101-A | Urine metabolism small molecule for assisting in diagnosing embryo planting success rate and application thereof | 南京医科大学 | 2023-07-04 | — | — | CN | claimed |
| CN-116381101-A | Urine metabolism small molecule for assisting in diagnosing embryo planting success rate and application thereof | 南京医科大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-116381101-A | Urine metabolism small molecule for assisting in diagnosing embryo planting success rate and application thereof | 南京医科大学 | 2023-07-04 | — | — | CN | disclosed |