⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9687851 | 0.72 | — | — | |
| SCHEMBL949935 | 0.72 | — | — | |
| SCHEMBL9654231 | 0.72 | — | — | |
| SCHEMBL4239375 | 0.69 | TRPA1 (0.47) | — | |
| SCHEMBL28427373 | 0.67 | — | — | |
| SCHEMBL7194057 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8604710 | 0.65 | — | — | |
| SCHEMBL5320929 | 0.65 | — | — | |
| SCHEMBL16371742 | 0.65 | TRPA1 (0.42) | — | |
| SCHEMBL11497043 | 0.63 | — | — |
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-5151427-A | Pyrimidinium betaine or pyrimidinedione compounds | CIBA-GEIGY CORPORATION (US) | 1992-09-29 | — | — | US | disclosed |