⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21625817 | 0.79 | HIF1A (0.37) | — | |
| SCHEMBL7158594 | 0.67 | — | — | |
| SCHEMBL27439148 | 0.67 | — | — | |
| SCHEMBL4276190 | 0.66 | LMNA (0.44) | — | |
| SCHEMBL4276128 | 0.65 | DAO (0.34) | — | |
| SCHEMBL9367898 | 0.65 | HRH1 (0.42) | — | |
| SCHEMBL27865531 | 0.65 | CYP3A4 (0.40) | — | |
| SCHEMBL27974432 | 0.65 | LMNA (0.36) | — | |
| SCHEMBL4414675 | 0.64 | DYRK1A (0.35) | — | |
| SCHEMBL27864491 | 0.64 | MAPK1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102458-A | Dihydropyrido pyrimidine compounds as autotaxin inhibitors | LILLY CO ELI | 2015-11-25 | — | — | CN | disclosed |
| CN-104684915-A | New bicyclic derivatives | HOFFMANN LA ROCHE | 2015-06-03 | — | — | CN | disclosed |