⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11353769 | 0.68 | — | — | |
| SCHEMBL8210237 | 0.67 | — | — | |
| SCHEMBL11569766 | 0.67 | — | — | |
| SCHEMBL21706322 | 0.67 | — | — | |
| SCHEMBL270019 | 0.67 | — | — | |
| SCHEMBL1889832 | 0.67 | — | — | |
| SCHEMBL136969 | 0.67 | — | — | |
| SCHEMBL28774597 | 0.67 | TDP1 (0.50) | — | |
| SCHEMBL3841146 | 0.64 | TDP1 (0.47) | — | |
| Water SCHEMBL11786429 | 0.64 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115870007-B | Composite catalyst for synthesizing propionate by ethylene carbonylation and application method thereof | 东南大学 | 2024-03-15 | — | — | CN | claimed |
| CN-115870007-A | Composite catalyst for synthesizing propionate through ethylene carbonylation and using method thereof | 东南大学 | 2023-03-31 | — | — | CN | claimed |
| CN-113816955-B | RET kinase inhibitor intermediate and preparation method thereof | 厦门云凡医药科技有限公司 | 2022-08-26 | — | — | CN | claimed |
| CN-113816955-A | RET kinase inhibitor intermediate and preparation method thereof | 厦门云凡医药科技有限公司 | 2021-12-21 | — | — | CN | claimed |
| CN-115870007-B | Composite catalyst for synthesizing propionate by ethylene carbonylation and application method thereof | 东南大学 | 2024-03-15 | — | — | CN | disclosed |
| CN-115870007-A | Composite catalyst for synthesizing propionate through ethylene carbonylation and using method thereof | 东南大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-113816955-B | RET kinase inhibitor intermediate and preparation method thereof | 厦门云凡医药科技有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-113816955-A | RET kinase inhibitor intermediate and preparation method thereof | 厦门云凡医药科技有限公司 | 2021-12-21 | — | — | CN | disclosed |
| US-7319100-B2 | Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2008-01-15 | — | — | US | disclosed |
| US-20070155740-A1 | SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-07-05 | — | — | US | disclosed |
| US-7238703-B2 | Azabicyclic, azatricyclic and azaspirocyclic derivatives of aminocyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists | MERZ PHARMA GMBH & CO. KGAA (DE) | 2007-07-03 | — | — | US | disclosed |
| US-5558803-A | ADDITION-CONDENSATION GRAFT COPOLYMERS FOR DIELECTRIC PARTICLES AND INSULATING LIQUIDS | NIPPON SHOKUBAI CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |