⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4108533 | 0.69 | — | — | |
| SCHEMBL12967665 | 0.67 | — | — | |
| SCHEMBL13590059 | 0.67 | — | — | |
| SCHEMBL6448143 | 0.67 | — | — | |
| SCHEMBL636736 | 0.67 | — | — | |
| SCHEMBL18198523 | 0.64 | — | — | |
| SCHEMBL12954888 | 0.64 | — | — | |
| SCHEMBL8925633 | 0.64 | — | — | |
| SCHEMBL131732 | 0.64 | — | — | |
| SCHEMBL15803400 | 0.64 | — | — |
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-7390831-B2 | contraception, secondary amenorrhea; dysfunctional bleeding; uterine leiomyomata; endometriosis; polycystic ovary syndrome; carcinomas, adenocarcinomas, Syndrome X, diabetes; 3'H-spiro-[[1,3]-dioxol-11,12-Dihydroxy-13-methyl-1,6,7,8,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-24 | — | — | US | disclosed |
| US-20070197634-A1 | TETRACYCLIC STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-23 | — | — | US | disclosed |