⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2500295 | 0.80 | KDM4E (0.57) | — | |
| SCHEMBL6057100 | 0.78 | — | — | |
| SCHEMBL12725535 | 0.75 | — | — | |
| SCHEMBL2242250 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27634671 | 0.75 | — | — | |
| SCHEMBL6773592 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL15414360 | 0.73 | — | — | |
| SCHEMBL16807522 | 0.73 | — | — | |
| SCHEMBL6124941 | 0.73 | KDM4E (0.64) | — | |
| SCHEMBL16743519 | 0.73 | — | — |
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-10472334-B2 | Small molecules for inhibiting male fertility | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2019-11-12 | — | — | US | disclosed |
| US-20170057934-A1 | SMALL MOLECULES FOR INHIBITING MALE FERTILITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-03-02 | — | — | US | disclosed |