⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5861161 | 0.88 | — | — | |
| Acetone SCHEMBL27406366 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27741229 | 0.77 | — | — | |
| SCHEMBL18906335 | 0.75 | — | — | |
| SCHEMBL4822982 | 0.75 | — | — | |
| SCHEMBL16821 | 0.75 | — | — | |
| SCHEMBL16370918 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL24445848 | 0.72 | — | — | |
| SCHEMBL2650393 | 0.72 | — | — | |
| SCHEMBL810675 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | claimed |
| CN-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-115231995-A | Mono-fluoro dibromo acetone derivative and preparation and application thereof | 上海应用技术大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-1646497-A | Novel arylimidazoles and related compounds as modulators of the C5a receptor | NEUROGEN CORP (US) | 2005-07-27 | — | — | CN | disclosed |
| EP-1272475-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-08 | — | — | EP | disclosed |
| EP-1272476-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001079182-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001079183-A1 | 2-PHENYL-2H-PYRIDAZINE-3-ONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |