⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6227802 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11770269 | 0.78 | KDM4E (0.41) | — | |
| SCHEMBL2774457 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28931320 | 0.72 | KDM4E (0.45) | — | |
| SCHEMBL8847735 | 0.72 | — | — | |
| SCHEMBL4156624 | 0.72 | — | — | |
| SCHEMBL6142487 | 0.72 | — | — | |
| SCHEMBL10518755 | 0.72 | — | — | |
| SCHEMBL6480730 | 0.72 | L3MBTL1 (0.41) | — | |
| SCHEMBL27878811 | 0.72 | ALDH1A2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5304555-A | Pyrimidines and pharmaceutically acceptable salts thereof useful in treatment of neurological disorders | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-19 | — | — | US | disclosed |
| EP-0305184-A1 | Pyrimidines or their pharmaceutically acceptable salts thereof | MITSUI PHARMACEUTICALS, INC. (JP) | 1989-03-01 | — | — | EP | disclosed |
| US-4244950-A | DIURETICS | A. CHRISTIAENS SOCIETE ANONYME (BE) | 1981-01-13 | — | — | US | disclosed |