⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30468591 | 0.86 | — | — | |
| SCHEMBL5715444 | 0.80 | GRIN1 (0.34) | — | |
| SCHEMBL5200034 | 0.80 | GRIN1 (0.34) | — | |
| SCHEMBL30468592 | 0.79 | GRIN1 (0.33) | — | |
| SCHEMBL11758576 | 0.74 | GRIN1 (0.31) | — | |
| SCHEMBL30514140 | 0.74 | — | — | |
| SCHEMBL30538461 | 0.73 | GRIN1 (0.30) | — | |
| SCHEMBL10821270 | 0.70 | CYP19A1 (0.47) | — | |
| Ethyne SCHEMBL7015681 | 0.69 | GRIN1 (0.52) | — | |
| SCHEMBL374356 | 0.68 | GRIN1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116392450-A | Subcutaneous implant containing estrogen and method for preparing same | 江苏集萃新型药物制剂技术研究所有限公司 | 2023-07-07 | — | — | CN | claimed |
| CN-119280495-A | Shape memory isolation film degradable in uterine cavity and preparation method thereof | 上海瑞凝生物科技有限公司 | 2025-01-10 | — | — | CN | disclosed |
| EP-0994713-B1 | USE OF A 7alpha-METHYL-17alpha-ETHYNYL-ESTRANE DERIVATIVE FOR THE TREATMENT OF ATHEROSCLEROSIS | AKZO NOBEL NV (NL) | 2003-11-05 | — | — | EP | disclosed |
| EP-0994713-A1 | USE OF A 7$g(a)-METHYL-17$g(a)-ETHYNYL-ESTRANE DERIVATIVE FOR THE TREATMENT OF ATHEROSCLEROSIS | Akzo Nobel N.V. (NL) | 2000-04-26 | — | — | EP | disclosed |