⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2454303 | 1.00 | — | — | |
| SCHEMBL15455162 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL15455164 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL566255 | 0.79 | — | — | |
| SCHEMBL28063791 | 0.78 | — | — | |
| SCHEMBL16336220 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL12168623 | 0.77 | — | — | |
| SCHEMBL13726435 | 0.77 | — | — | |
| SCHEMBL19599277 | 0.77 | — | — | |
| SCHEMBL12758740 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120208119-A1 | TONER FOR ELECTROPHOTOGRAPHY AND TONER SET | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2012-08-16 | — | — | US | disclosed |
| US-7982036-B2 | 4,6-disubstitued pyrimidines useful as kinase inhibitors | AVILA THERAPEUTICS, INC. (US) | 2011-07-19 | — | — | US | disclosed |
| US-20110172372-A1 | CURABLE COMPOSITION AND METHOD FOR IMPROVING RECOVERY PROPERTIES AND CREEP PROPERTIES | KANEKA CORPORATION (JP) | 2011-07-14 | — | — | US | disclosed |
| US-20090137588-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-05-28 | — | — | US | disclosed |