⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14779472 | 0.77 | CA1 (0.48) | — | |
| SCHEMBL576118 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL778313 | 0.77 | — | — | |
| SCHEMBL9126158 | 0.76 | — | — | |
| SCHEMBL14779770 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4135185 | 0.72 | — | — | |
| SCHEMBL14778594 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL14779071 | 0.72 | CA1 (0.38) | — | |
| SCHEMBL14780194 | 0.72 | CA1 (0.38) | — | |
| SCHEMBL14778810 | 0.72 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0877757-A1 | METHOD FOR EVALUATING AND AFFECTING MALE FERTILITY | U.S. Environmental Protection Agency (US) | 1998-11-18 | — | — | EP | disclosed |
| WO-1997027218-A1 | METHOD FOR EVALUATING AND AFFECTING MALE FERTILITY | U.S. ENVIRONMENTAL PROTECTION AGENCY (US) | 1997-07-31 | — | — | WO | disclosed |