⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3794730 | 0.77 | — | — | |
| SCHEMBL3200158 | 0.77 | — | — | |
| SCHEMBL2659687 | 0.77 | — | — | |
| SCHEMBL27604256 | 0.77 | — | — | |
| SCHEMBL27772177 | 0.74 | GAA (0.33) | — | |
| SCHEMBL27675946 | 0.69 | — | — | |
| SCHEMBL24667243 | 0.65 | — | — | |
| SCHEMBL7842864 | 0.65 | — | — | |
| SCHEMBL5745252 | 0.65 | — | — | |
| SCHEMBL27819736 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102702170-A | Compounds for detecting content of micro magnesium ions and application thereof | TIANJIN HEOWNS BIOCHEMICAL TECHNOLOGY CO LTD | 2012-10-03 | — | — | CN | disclosed |
| CN-101405277-A | Dicarbonylic compounds with antibacterial activity | SALVAT LAB SA (ES) | 2009-04-08 | — | — | CN | disclosed |
| CN-1042899-C | Catalyst compositions and Catalytic processes | PHILLIPS PETROLEUM CO (US) | 1999-04-14 | — | — | CN | disclosed |
| CN-1091999-A | Carbon monoxide-olefin polymeric and Catalytic processes | PHILLIPS PETROLEUM CO (US) | 1994-09-14 | — | — | CN | disclosed |