⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9152767 | 0.93 | SLC6A3 (0.38) | — | |
| SCHEMBL6300227 | 0.75 | — | — | |
| SCHEMBL911582 | 0.75 | SLC6A3 (0.33) | — | |
| SCHEMBL27504488 | 0.73 | — | — | |
| SCHEMBL21069258 | 0.72 | — | — | |
| SCHEMBL7330065 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL28077491 | 0.70 | SLC6A4 (0.30) | — | |
| SCHEMBL7144406 | 0.70 | SLC6A4 (0.35) | — | |
| SCHEMBL5614010 | 0.70 | MAPT (0.30) | — | |
| SCHEMBL28010659 | 0.69 | SLC6A4 (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 |
|---|---|---|---|---|---|---|---|
| US-20040248861-A1 | Modified delta5-androstenes having improved bioavailability | KNELLER BRUCE W (US) | 2004-12-09 | — | — | US | claimed |
| US-20040248861-A1 | Modified delta5-androstenes having improved bioavailability | KNELLER BRUCE W (US) | 2004-12-09 | — | — | US | disclosed |