⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304891 | 0.77 | CXCR2 (0.54) | — | |
| SCHEMBL11648181 | 0.77 | NPC1 (0.53) | — | |
| SCHEMBL1920752 | 0.74 | CXCR2 (0.52) | — | |
| SCHEMBL4406660 | 0.74 | — | — | |
| SCHEMBL9153872 | 0.74 | CA2 (0.38) | — | |
| SCHEMBL7811923 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL297418 | 0.72 | — | — | |
| SCHEMBL1943622 | 0.72 | — | — | |
| SCHEMBL1488039 | 0.72 | — | — | |
| SCHEMBL3191936 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912527-A | A kind of 2- replaces the preparation method of benzoxazoles derivative | 华侨大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-107021956-A | Benzoxazoles derivative and its application | 石家庄诚志永华显示材料有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-102971311-B | Bicyclic heteroaryl compounds as GPR119 modulators | BRISTOL MYERS SQUIBB CO | 2015-07-08 | — | — | CN | disclosed |
| US-20040138199-A1 | Benzoxazines and derivatives thereof as therapeutic agents | GOGLIOTTI ROCCO DEAN (US) | 2004-07-15 | — | — | US | disclosed |