⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9428312 | 0.77 | — | — | |
| SCHEMBL9728289 | 0.76 | MAPT (0.52) | — | |
| SCHEMBL7675588 | 0.76 | MAPT (0.52) | — | |
| SCHEMBL9728297 | 0.76 | MAPT (0.52) | — | |
| SCHEMBL285449 | 0.74 | — | — | |
| SCHEMBL9428766 | 0.73 | MAPT (0.46) | — | |
| SCHEMBL9428496 | 0.70 | MAPT (0.51) | — | |
| SCHEMBL14889600 | 0.70 | TDP1 (0.43) | — | |
| SCHEMBL3081072 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL9429318 | 0.69 | MAPT (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765325-A4 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | SYNTA PHARMACEUTICALS CORP (US) | 2009-08-12 | — | — | EP | claimed |
| EP-1765325-A2 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | Synta Pharmaceuticals Corporation (US) | 2007-03-28 | — | — | EP | claimed |
| US-20060063739-A1 | 2-Substituted heteroaryl compounds | LSI FINANCING LLC, AS ADMINISTRATIVE AGENT | 2006-03-23 | — | — | US | claimed |
| WO-2006007532-A2 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2006-01-19 | — | — | WO | claimed |
| EP-1765325-A4 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | SYNTA PHARMACEUTICALS CORP (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1765325-A2 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | Synta Pharmaceuticals Corporation (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20060063739-A1 | 2-Substituted heteroaryl compounds | LSI FINANCING LLC, AS ADMINISTRATIVE AGENT | 2006-03-23 | — | — | US | disclosed |
| WO-2006007532-A2 | 2-SUBSTITUTED HETEROARYL COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2006-01-19 | — | — | WO | disclosed |