⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL2478740 | 0.89 | ALDH1A1 (0.43) | — | |
| Acetone SCHEMBL902412 | 0.86 | LMNA (0.35) | — | |
| SCHEMBL4237401 | 0.82 | KISS1R (0.38) | — | |
| SCHEMBL3042219 | 0.82 | — | — | |
| SCHEMBL7061425 | 0.81 | — | — | |
| SCHEMBL8042218 | 0.80 | MMP1 (0.40) | — | |
| Acetone SCHEMBL8516889 | 0.79 | LMNA (0.40) | — | |
| Acetone SCHEMBL8844214 | 0.79 | LMNA (0.40) | — | |
| SCHEMBL15080401 | 0.79 | SLC1A3 (0.42) | — | |
| SCHEMBL18951908 | 0.79 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4145516-A | INCORPORATING A DIOL CONTAINING A KETONE CARBONYL | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 1979-03-20 | — | — | US | claimed |
| US-7540184-B2 | Analyzing method for coloring material composition | SEIKO EPSON CORPORATION (JP) | 2009-06-02 | — | — | US | disclosed |
| US-20060150716-A1 | Analyzing method for coloring material composition | SEIKO EPSON CORPORATION | 2006-07-13 | — | — | US | disclosed |
| US-20040185495-A1 | Methods and reagents for identifying rare fetal cells in the maternal circulation | SCHUELER PAULA A (US) | 2004-09-23 | — | — | US | disclosed |
| US-20030165852-A1 | Methods and reagents for identifying rare fetal cells in the maternal circulation | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2003-09-04 | — | — | US | disclosed |
| US-5124331-A | Anticancer agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-06-23 | — | — | US | disclosed |