⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24277047 | 1.00 | — | — | |
| SCHEMBL21037937 | 0.82 | — | — | |
| SCHEMBL20079256 | 0.75 | — | — | |
| SCHEMBL19397692 | 0.73 | — | — | |
| SCHEMBL14626793 | 0.73 | — | — | |
| SCHEMBL441083 | 0.73 | — | — | |
| SCHEMBL3073668 | 0.73 | — | — | |
| SCHEMBL773442 | 0.73 | — | — | |
| SCHEMBL133715 | 0.73 | — | — | |
| SCHEMBL16392939 | 0.73 | ALDH1A1 (0.35) | — |
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-3548478-B1 | PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS | APROS THERAPEUTICS INC (US) | 2021-11-17 | — | — | EP | disclosed |
| US-4080503-A | HYPOTENSIVE AGENTS, ANTICOAGULANTS, ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DT) | 1978-03-21 | — | — | US | disclosed |