⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830961 | 0.82 | NOS3 (0.36) | — | |
| SCHEMBL2216296 | 0.76 | — | — | |
| SCHEMBL10462728 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL11666790 | 0.74 | ESR1 (0.31) | — | |
| SCHEMBL4268321 | 0.74 | PIM1 (0.33) | — | |
| SCHEMBL105987 | 0.73 | — | — | |
| SCHEMBL9779717 | 0.73 | — | — | |
| SCHEMBL18744665 | 0.71 | — | — | |
| SCHEMBL4687448 | 0.71 | NOS3 (0.36) | — | |
| SCHEMBL14642748 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0484908-A2 | Microbiological process for the preparation of hydroxylated Pyrazinederivatives | LONZA A.G. (CH) | 1992-05-13 | — | — | EP | claimed |
| US-20100266714-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |
| US-5266482-A | Biosynthesis | LONZA LTD. (CH) | 1993-11-30 | — | — | US | disclosed |
| US-5173412-A | Converted with microorganism Agrobacterium | LONZA, LTD. (CH) | 1992-12-22 | — | — | US | disclosed |
| EP-0484908-A2 | Microbiological process for the preparation of hydroxylated Pyrazinederivatives | LONZA A.G. (CH) | 1992-05-13 | — | — | EP | disclosed |