⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16129863 | 1.00 | — | — | |
| SCHEMBL19042986 | 0.86 | — | — | |
| SCHEMBL19042837 | 0.82 | — | — | |
| SCHEMBL2012943 | 0.76 | — | — | |
| SCHEMBL1781000 | 0.76 | — | — | |
| SCHEMBL1782773 | 0.76 | — | — | |
| SCHEMBL20037993 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL15668022 | 0.74 | KCNH2 (0.95) | — | |
| SCHEMBL20576713 | 0.74 | KCNH2 (0.59) | — | |
| SCHEMBL17311122 | 0.74 | KCNH2 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |