⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2966653 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL3691529 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL2956882 | 0.69 | GPR3 (0.37) | — | |
| SCHEMBL2967968 | 0.68 | GSTP1 (0.39) | — | |
| SCHEMBL931606 | 0.68 | — | — | |
| SCHEMBL5917524 | 0.68 | — | — | |
| SCHEMBL6581783 | 0.68 | GPR3 (0.31) | — | |
| SCHEMBL2046968 | 0.68 | NPC1 (0.42) | — | |
| SCHEMBL15415250 | 0.67 | ENPP3 (0.31) | — | |
| SCHEMBL4585151 | 0.66 | ALOX5 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2802328-B1 | TRYPTOLINE DERIVATIVES HAVING KINASE INHIBITORY ACTIVITY AND USES THEREOF | X-CHEM INC (US) | 2018-03-07 | — | — | EP | disclosed |
| EP-1971611-A1 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007081517-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-19 | — | — | WO | disclosed |