⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9190427 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL13579091 | 0.82 | LMNA (0.40) | — | |
| SCHEMBL9903787 | 0.81 | — | — | |
| SCHEMBL30431355 | 0.80 | LMNA (0.39) | — | |
| SCHEMBL28494915 | 0.80 | LMNA (0.39) | — | |
| SCHEMBL28540031 | 0.79 | LMNA (0.37) | — | |
| SCHEMBL28535308 | 0.79 | LMNA (0.37) | — | |
| SCHEMBL15813363 | 0.77 | HSD17B10 (0.30) | — | |
| SCHEMBL3890434 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL27763387 | 0.75 | CA12 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117945995-A | Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof | 中国科学院青海盐湖研究所 | 2024-04-30 | — | — | CN | claimed |
| US-12054502-B2 | Multifunctional immunity-targeted micromolecule anti-cancer medicine Bestazomib (Bestazomib) and preparation method and application thereof | SHANDONG HUBBLE KISEN BIOLOGICAL TECHNONLOGY CO., LTD. (CN) | 2024-08-06 | — | — | US | disclosed |
| CN-118116797-A | Doping paste for solar cell | 东丽先端材料研究开发（中国）有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-117945995-A | Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof | 中国科学院青海盐湖研究所 | 2024-04-30 | — | — | CN | disclosed |
| EP-3835305-B1 | MULTIFUNCTIONAL IMMUNITY-TARGETED MICROMOLECULE ANTI-CANCER MEDICINE BESTAZOMIB (BESTAZOMIB) AND PREPARATION METHOD AND APPLICATION THEREOF | SHANGDONG HUBBLE KISEN BIOLOGICAL TECH CO LTD (CN) | 2023-10-04 | — | — | EP | disclosed |
| US-6053396-A | APPLYING A POLYMER SELECTED FROM THE GROUP CONSISTING OF POLYMERS HAVING OXYGEN ATOMS IN THE MAIN CHAIN AND POLYMERS CAPABLE OF BEING THERMALLY DEPOLYMERIZED, TO THE METAL SURFACE OF METAL PART TO BE WELDED, WELDING THE METAL PARTS | TOYO RIKEN CORPORATION (JP) | 2000-04-25 | — | — | US | disclosed |
| US-4122291-A | ALKEN-3-OL-1 CONVERTED TO BORIC ACID ESTER, HYDROGENATION, PALLADIUM CATALYST | KURARAY CO., LTD. (JP) | 1978-10-24 | — | — | US | disclosed |