⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24497404 | 0.69 | — | — | |
| SCHEMBL24497428 | 0.69 | — | — | |
| SCHEMBL12318018 | 0.65 | — | — | |
| SCHEMBL13437703 | 0.64 | — | — | |
| SCHEMBL13045922 | 0.62 | — | — | |
| SCHEMBL19310973 | 0.61 | — | — | |
| SCHEMBL19872860 | 0.60 | — | — | |
| SCHEMBL9512543 | 0.60 | — | — | |
| SCHEMBL14269888 | 0.60 | TSHR (0.34) | — | |
| SCHEMBL17742985 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9789120-B2 | Male contraceptive compositions and methods of use | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-10-17 | — | — | US | disclosed |
| US-9789120-B2 | Male contraceptive compositions and methods of use | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-10-17 | — | — | US | disclosed |
| US-20160317547-A1 | Male Contraceptive Compositions And Methods Of Use | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-11-03 | — | — | US | disclosed |
| US-20160317547-A1 | Male Contraceptive Compositions And Methods Of Use | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-11-03 | — | — | US | disclosed |