⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21433644 | 1.00 | — | — | |
| SCHEMBL18334352 | 0.77 | — | — | |
| SCHEMBL10710528 | 0.77 | — | — | |
| SCHEMBL1032308 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8005036 | 0.74 | TDP1 (0.48) | — | |
| SCHEMBL11189734 | 0.74 | TDP1 (0.48) | — | |
| SCHEMBL3560774 | 0.72 | SLC22A6 (0.41) | — | |
| SCHEMBL1707422 | 0.71 | — | — | |
| SCHEMBL7709206 | 0.71 | — | — | |
| SCHEMBL21847998 | 0.70 | SLC22A6 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110049992-B | Water-soluble sex pregnenolone derivatives and application thereof | 江苏恩华络康药物研发有限公司 | 2022-05-27 | — | — | CN | disclosed |
| US-20190322698-A1 | WATER-SOLUBLE ALLOPREGNENOLONE DERIVATIVE AND USE THEREOF | JIANGSU NHWALUOKANG PHARMACEUTICAL RESEARCH AND DEVELOPMENT CO., LTD. (CN) | 2019-10-24 | — | — | US | disclosed |
| EP-3549945-A1 | WATER-SOLUBLE ALLOPREGNENOLONE DERIVATIVE AND USE THEREOF | Jiangsu Nhwaluokang Pharmceutical Research and Development Co. Ltd. (CN) | 2019-10-09 | — | — | EP | disclosed |