⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7046884 | 0.79 | — | — | |
| SCHEMBL3939619 | 0.79 | — | — | |
| SCHEMBL10998680 | 0.77 | — | — | |
| SCHEMBL1934622 | 0.77 | HDAC2 (0.32) | — | |
| SCHEMBL8546188 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL969859 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL4629837 | 0.76 | — | — | |
| SCHEMBL8045982 | 0.72 | HPGD (0.35) | — | |
| SCHEMBL4912716 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL8209626 | 0.72 | AKT1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739125-A | USED TO INDUCE ABORTION OR LABOR, OR TO TREAT ENDOMETROSIS, DYSMENORRHEA, OR PROGESTIN HORMONE-DEPENDENT TUMORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |
| US-5407928-A | Progesterone antagonist suitable for inducing labor or an abortion | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-04-18 | — | — | US | disclosed |
| US-5166199-A | Steroid derivatives for urogenital disorders, dysmenorrhea or abortions-oxytocics | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| US-5162312-A | 11β-substituted 16α, 17α-methylene-estra-4,9-dien-3-ones | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| WO-1991001958-A2 | 11β-ARYL-GONA-4,9-DIEN-3-ONES | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-02-21 | — | — | WO | disclosed |
| WO-1991001994-A1 | 11β-SUBSTITUTED 16α,17α-METHYLENE-ESTRA-4,9-DIENE-3-ONES | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-02-21 | — | — | WO | disclosed |