⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8648118 | 0.97 | — | — | |
| SCHEMBL5381214 | 0.87 | — | — | |
| SCHEMBL15402187 | 0.83 | — | — | |
| SCHEMBL12650053 | 0.80 | — | — | |
| SCHEMBL64572 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL23824986 | 0.76 | AOC1 (0.31) | — | |
| SCHEMBL8005736 | 0.76 | — | — | |
| SCHEMBL4809019 | 0.76 | — | — | |
| SCHEMBL4803661 | 0.76 | — | — | |
| SCHEMBL4802674 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790971-B1 | AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY | AVENTIS PHARMA S.A. (FR) | 2004-09-14 | — | — | US | disclosed |