⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4599592 | 0.68 | — | — | |
| SCHEMBL5265432 | 0.68 | — | — | |
| SCHEMBL3632500 | 0.68 | — | — | |
| SCHEMBL2545679 | 0.64 | — | — | |
| SCHEMBL1116642 | 0.64 | — | — | |
| SCHEMBL11194367 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL7457100 | 0.58 | — | — | |
| SCHEMBL2546251 | 0.58 | — | — | |
| SCHEMBL4780903 | 0.58 | — | — | |
| SCHEMBL21675818 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009122447-A1 | SEMI-SYNTHETIC SESQUITERPENE LACTONE PARTHENIN COMPOUND USEFUL FOR CYTOTOXICITY AGAINST CANCER CELL LINES AND ANTICANDER AGENT | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-08 | — | — | WO | claimed |
| WO-2013157651-A1 | PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-10-24 | — | — | WO | disclosed |
| WO-2012110860-A1 | TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2012-08-23 | — | — | WO | disclosed |
| WO-2009122447-A1 | SEMI-SYNTHETIC SESQUITERPENE LACTONE PARTHENIN COMPOUND USEFUL FOR CYTOTOXICITY AGAINST CANCER CELL LINES AND ANTICANDER AGENT | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-08 | — | — | WO | disclosed |