⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3545694 | 0.78 | — | — | |
| SCHEMBL251428 | 0.73 | — | — | |
| SCHEMBL6995987 | 0.73 | — | — | |
| SCHEMBL237047 | 0.73 | — | — | |
| SCHEMBL17244 | 0.65 | — | — | |
| SCHEMBL14876768 | 0.65 | — | — | |
| SCHEMBL25407819 | 0.63 | — | — | |
| SCHEMBL24013 | 0.63 | — | — | |
| SCHEMBL21351608 | 0.63 | — | — | |
| SCHEMBL1144188 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4287338-A | Sulfooxy-pyrimidinium, -pyridinium, and -triazinium hydroxide inner salts | THE UPJOHN COMPANY (US) | 1981-09-01 | — | — | US | claimed |
| EP-0852584-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011961-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |
| EP-0187854-A4 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. | BAZZANO GAIL S | 1987-01-22 | — | — | EP | disclosed |
| EP-0187854-A1 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION | BAZZANO, Gail S (US) | 1986-07-23 | — | — | EP | disclosed |
| WO-1986000616-A1 | SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION | BAZZANO GAIL SANSONE | 1986-01-30 | — | — | WO | disclosed |
| US-4287338-A | Sulfooxy-pyrimidinium, -pyridinium, and -triazinium hydroxide inner salts | THE UPJOHN COMPANY (US) | 1981-09-01 | — | — | US | disclosed |