⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8461698 | 0.43 | CCR1 (0.32) | — | |
| SCHEMBL11183863 | 0.42 | MEN1 (0.39) | — | |
| SCHEMBL442087 | 0.39 | — | — | |
| SCHEMBL713451 | 0.39 | — | — | |
| SCHEMBL26639278 | 0.39 | — | — | |
| Formic Acid SCHEMBL984189 | 0.36 | — | — | |
| SCHEMBL28376975 | 0.36 | — | — | |
| SCHEMBL28294765 | 0.36 | — | — | |
| SCHEMBL27277281 | 0.36 | — | — | |
| Formic Acid SCHEMBL11424554 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115403537-A | 2,3,5-trisubstituted-2,3-dihydro-oxatriazole derivative and preparation method thereof | 武汉工程大学 | 2022-11-29 | — | — | CN | disclosed |