⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28997212 | 0.72 | MAOA (0.34) | — | |
| SCHEMBL27681170 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL28136341 | 0.67 | MEN1 (0.36) | — | |
| SCHEMBL28876896 | 0.63 | MGLL (0.34) | — | |
| SCHEMBL28264402 | 0.62 | — | — | |
| SCHEMBL28324513 | 0.62 | NSD2 (0.33) | — | |
| SCHEMBL27732123 | 0.61 | — | — | |
| SCHEMBL10858760 | 0.61 | KDM1A (0.33) | — | |
| SCHEMBL17223955 | 0.59 | NSD2 (0.33) | — | |
| SCHEMBL28310074 | 0.59 | NSD2 (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 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 |