⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12788337 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL18872104 | 0.83 | — | — | |
| SCHEMBL18776612 | 0.81 | MLYCD (0.30) | — | |
| SCHEMBL18859438 | 0.79 | CYP1A2 (0.42) | — | |
| SCHEMBL13472100 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL20887301 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL18871974 | 0.74 | — | — | |
| SCHEMBL15696999 | 0.72 | — | — | |
| SCHEMBL12120262 | 0.72 | MAPK1 (0.32) | — | |
| SCHEMBL13887600 | 0.70 | MAPT (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170137420-A1 | PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-05-18 | — | — | US | disclosed |