⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6667473 | 0.76 | — | — | |
| SCHEMBL6667235 | 0.75 | PDE9A (0.34) | — | |
| SCHEMBL6667259 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL6666972 | 0.64 | — | — | |
| SCHEMBL5409422 | 0.63 | XPO1 (0.37) | — | |
| SCHEMBL6666611 | 0.62 | PDE9A (0.34) | — | |
| SCHEMBL6664551 | 0.62 | XDH (0.30) | — | |
| SCHEMBL27731725 | 0.61 | ALDH1A1 (0.42) | — | |
| SCHEMBL27775297 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL31059499 | 0.59 | KDM4C (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | disclosed |
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | 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 |