⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12590720 | 1.00 | — | — | |
| SCHEMBL680719 | 1.00 | — | — | |
| SCHEMBL66883 | 0.88 | — | — | |
| SCHEMBL512396 | 0.78 | — | — | |
| SCHEMBL11823906 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL31688079 | 0.72 | — | — | |
| SCHEMBL29029262 | 0.72 | — | — | |
| SCHEMBL15834954 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2906732 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL528956 | 0.72 | ALDH1A1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9790228-B2 | Heterocyclic kinase inhibitors | INTELLIKINE LLC (US) | 2017-10-17 | — | — | US | disclosed |
| US-20160168157-A1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE LLC | 2016-06-16 | — | — | US | disclosed |
| US-9296742-B2 | Heterocyclic kinase inhibitors | INTELLIKINE LLC (US) | 2016-03-29 | — | — | US | disclosed |
| US-20140206685-A1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE LLC (US) | 2014-07-24 | — | — | US | disclosed |
| US-20110281866-A1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110281866-A1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| WO-2010036380-A1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE, INC. (US) | 2010-04-01 | — | — | WO | disclosed |