⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28595938 | 1.00 | — | — | |
| SCHEMBL1433577 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25279878 | 0.98 | GRM4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28913901 | 0.98 | GRM4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28913902 | 0.98 | GRM4 (0.41) | — | |
| SCHEMBL4291393 | 0.86 | CYP1A2 (0.38) | — | |
| SCHEMBL19575870 | 0.86 | CYP1A2 (0.38) | — | |
| SCHEMBL28600615 | 0.85 | GRM4 (0.45) | — | |
| SCHEMBL180209 | 0.85 | GRM4 (0.45) | — | |
| Bromide SCHEMBL9657131 | 0.83 | GRM4 (0.43) | — |
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-117624173-A | Chiral spiro [ oxindole-pyrrolidine amino acid ester ] compound containing trifluoromethyl, and preparation method and application thereof | 遵义医科大学 | 2024-03-01 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |