⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2686748 | 0.82 | DPP4 (0.31) | — | |
| SCHEMBL2845814 | 0.70 | HTT (0.30) | — | |
| SCHEMBL3401469 | 0.69 | ACE (0.32) | — | |
| SCHEMBL15808505 | 0.68 | — | — | |
| SCHEMBL1493753 | 0.68 | DPP4 (0.47) | — | |
| SCHEMBL3968810 | 0.68 | DPP4 (0.37) | — | |
| SCHEMBL3403085 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL12757999 | 0.66 | PIN1 (0.40) | — | |
| SCHEMBL1493709 | 0.66 | PIN1 (0.40) | — | |
| SCHEMBL3961662 | 0.65 | HTT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524709-B2 | Kinase inhibitor compounds | TYROGENEX, INC. (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120115866-A1 | KINASE INHIBITOR COMPOUNDS | TYROGENEX, INC. (US) | 2012-05-10 | — | — | US | disclosed |