⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7785079 | 0.78 | — | — | |
| Ethyl Acetate SCHEMBL493040 | 0.75 | ALDH1A1 (0.74) | — | |
| SCHEMBL2254844 | 0.75 | — | — | |
| SCHEMBL27872257 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL7785077 | 0.73 | — | — | |
| SCHEMBL9675581 | 0.73 | — | — | |
| SCHEMBL2562191 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL322669 | 0.73 | — | — | |
| Ethyl Acetate SCHEMBL6268192 | 0.72 | ALDH1A1 (0.78) | — | |
| Ethyl Acetate SCHEMBL11181789 | 0.72 | ALDH1A1 (0.78) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230024722-A1 | ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS | VenatoRx Pharmaceuticals, Inc. | 2023-01-26 | — | — | US | disclosed |