⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21259533 | 0.80 | — | — | |
| SCHEMBL2886239 | 0.80 | — | — | |
| SCHEMBL13295836 | 0.71 | — | — | |
| SCHEMBL3983475 | 0.69 | — | — | |
| SCHEMBL681879 | 0.69 | — | — | |
| SCHEMBL767441 | 0.69 | — | — | |
| SCHEMBL823130 | 0.68 | — | — | |
| SCHEMBL13244965 | 0.68 | PTPN1 (0.33) | — | |
| SCHEMBL11802419 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL11802415 | 0.68 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130065897-A1 | COMPOUNDS, PREPARATION AND USES THEREOF | PETER MACCALLUM CANCER INSTITUTE (AU) | 2013-03-14 | — | — | US | disclosed |
| EP-2515903-A1 | COMPOUNDS, PREPARATIONS AND USES THEREOF | Peter MacCallum Cancer Institute (AU) | 2012-10-31 | — | — | EP | disclosed |
| US-8273900-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-09-25 | — | — | US | disclosed |
| WO-2011075784-A1 | COMPOUNDS, PREPARATIONS AND USES THEREOF | PETER MACCALLUM CANCER INSTITUTE (AU) | 2011-06-30 | — | — | WO | disclosed |
| US-20100035898-A1 | Organic compounds | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | disclosed |