⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402623 | 0.78 | — | — | |
| SCHEMBL562715 | 0.76 | — | — | |
| Fluoride SCHEMBL1336959 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL2048644 | 0.74 | — | — | |
| SCHEMBL12474483 | 0.74 | — | — | |
| SCHEMBL10624663 | 0.74 | — | — | |
| Fluoride SCHEMBL946243 | 0.73 | ALDH1A1 (0.41) | — | |
| Fluoride SCHEMBL944626 | 0.72 | KDM1A (0.32) | — | |
| Hydrochloric Acid SCHEMBL943027 | 0.71 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL12474494 | 0.70 | PDPK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5420128-A | Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0503099-A1 | PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |