⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20746081 | 0.78 | — | — | |
| SCHEMBL16949836 | 0.73 | — | — | |
| SCHEMBL2724299 | 0.65 | — | — | |
| SCHEMBL20741823 | 0.58 | — | — | |
| SCHEMBL31234843 | 0.58 | — | — | |
| SCHEMBL13113029 | 0.57 | — | — | |
| SCHEMBL20679047 | 0.56 | — | — | |
| Alcohol SCHEMBL4623812 | 0.55 | ALDH1A1 (0.40) | — | |
| SCHEMBL15199706 | 0.55 | — | — | |
| SCHEMBL15328111 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1535958-A | Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound | �������Ŷ���Լ��������˾ | 2004-10-13 | — | — | CN | disclosed |
| EP-0824524-B1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | UPJOHN CO (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| CN-1152022-C | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | �������Ŷ���Լ��������˾ | 2004-06-02 | — | — | CN | disclosed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | disclosed |
| CN-1183773-A | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | UPJOHN CO (US) | 1998-06-03 | — | — | CN | disclosed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |