⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28264446 | 0.78 | GRIA2 (0.33) | — | |
| SCHEMBL28136341 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL28207488 | 0.65 | GSK3B (0.34) | — | |
| SCHEMBL28263284 | 0.62 | — | — | |
| SCHEMBL27303243 | 0.61 | TRIM24 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27840288 | 0.60 | — | — | |
| SCHEMBL27436380 | 0.60 | — | — | |
| SCHEMBL27857904 | 0.58 | GAA (0.32) | — | |
| SCHEMBL28137090 | 0.57 | TSHR (0.34) | — | |
| SCHEMBL23892200 | 0.57 | CA12 (0.38) | — |
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-109121397-A | Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound | 莱德克斯制药公共有限公司 | 2019-01-01 | — | — | CN | claimed |
| CN-109121397-A | Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound | 莱德克斯制药公共有限公司 | 2019-01-01 | — | — | CN | disclosed |