⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21263643 | 0.66 | — | — | |
| SCHEMBL23544663 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL20907 | 0.61 | FFAR3 (0.40) | — | |
| SCHEMBL16383765 | 0.61 | — | — | |
| SCHEMBL9400697 | 0.61 | FFAR3 (0.35) | — | |
| SCHEMBL16937304 | 0.60 | — | — | |
| Trimethylammonium SCHEMBL2478116 | 0.60 | FFAR3 (0.38) | — | |
| Trimethylammonium SCHEMBL460229 | 0.60 | FFAR3 (0.38) | — | |
| Trimethylammonium SCHEMBL141478 | 0.60 | FFAR3 (0.38) | — | |
| Methacrylic Acid SCHEMBL1218950 | 0.60 | TDP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3564216-B1 | PYRIMIDINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2021-10-27 | — | — | EP | disclosed |
| EP-3564216-A1 | PYRIMIDINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2019-11-06 | — | — | EP | disclosed |