⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2804056 | 0.69 | — | — | |
| SCHEMBL1253443 | 0.69 | CA2 (0.33) | — | |
| SCHEMBL27096235 | 0.69 | CA2 (0.33) | — | |
| SCHEMBL6057228 | 0.67 | CHRM2 (0.38) | — | |
| SCHEMBL4421272 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL10897755 | 0.67 | — | — | |
| SCHEMBL8669575 | 0.67 | — | — | |
| SCHEMBL22183107 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL22183109 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL28877293 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118515620-A | Preparation method of heterogeneous catalysis 2-trifluoromethyl substituted quinazolinone compound | 浙江理工大学 | 2024-08-20 | — | — | CN | disclosed |
| CN-111032671-B | Protected tetraose, method for the production thereof and use thereof as a substrate for transglucosidase receptors in the chemoenzymatic synthesis of shigella flexneri-specific oligosaccharides | 巴斯德研究所 | 2024-01-12 | — | — | CN | disclosed |
| CN-114380881-B | Panax notoginseng saponin analogue, synthesis method and application thereof | 云南中医药大学 | 2023-05-23 | — | — | CN | disclosed |